5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate

C100H90F4N16O14S3 — CID 159105346

About 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate

5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate (PubChem CID 159105346) has the molecular formula C100H90F4N16O14S3 and a molecular weight of 1912.11 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate
• PubChem CID: 159105346
• Molecular Formula: C100H90F4N16O14S3
• Molecular Weight: 1912.11 g/mol
• Exact Mass: 1910.59
• IUPAC Name: 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate
• SMILES: CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3cc(C)ccc3C)c2)ccn1.CC(=O)Cc1cc(-c2cnc3c(c2)C(S(=O)(=O)c2ccccc2)=CC3)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)c(C)cn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)Nc3cccc(F)c3F)c2)ccn1.COC(=O)Nc1cc(-c2cncc(C(=O)C3CC3)c2)ccn1
• InChI: InChI=1S/C22H23N3O3S.C22H18N2O3S.C21H19F2N3O3S.C19H15F2N5O2.C16H15N3O3/c1-14-5-6-15(2)22(9-14)29(27,28)25-21-12-19(13-24-17(21)4)18-7-8-23-20(11-18)10-16(3)26;1-15(25)11-18-12-16(9-10-23-18)17-13-20-21(24-14-17)7-8-22(20)28(26,27)19-5-3-2-4-6-19;1-12-9-25-21(26-14(3)27)8-18(12)15-6-16(13(2)24-10-15)11-30(28,29)20-5-4-17(22)7-19(20)23;1-10(27)25-16-8-11(5-6-23-16)12-7-13(18(22)24-9-12)19(28)26-15-4-2-3-14(20)17(15)21;1-22-16(21)19-14-7-11(4-5-18-14)12-6-13(9-17-8-12)15(20)10-2-3-10/h5-9,11-13,25H,10H2,1-4H3;2-6,8-10,12-14H,7,11H2,1H3;4-10H,11H2,1-3H3,(H,25,26,27);2-9H,1H3,(H2,22,24)(H,26,28)(H,23,25,27);4-10H,2-3H2,1H3,(H,18,19,21)
• InChIKey: KDUSOAAYROFMQA-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 446.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1912.11
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate?

The IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate (CID 159105346) is 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate.

What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate?

The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate is CC(=O)Cc1cc(-c2cnc(C)c(NS(=O)(=O)c3cc(C)ccc3C)c2)ccn1.CC(=O)Cc1cc(-c2cnc3c(c2)C(S(=O)(=O)c2ccccc2)=CC3)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)c3ccc(F)cc3F)c2)c(C)cn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)Nc3cccc(F)c3F)c2)ccn1.COC(=O)Nc1cc(-c2cncc(C(=O)C3CC3)c2)ccn1.

What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate?

The InChIKey is KDUSOAAYROFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S.C22H18N2O3S.C21H19F2N3O3S.C19H15F2N5O2.C16H15N3O3/c1-14-5-6-15(2)22(9-14)29(27,28)25-21-12-19(13-24-17(21)4)18-7-8-23-20(11-18)10-16(3)26;1-15(25)11-18-12-16(9-10-23-18)17-13-20-21(24-14-17)7-8-22(20)28(26,27)19-5-3-2-4-6-19;1-12-9-25-21(26-14(3)27)8-18(12)15-6-16(13(2)24-10-15)11-30(28,29)20-5-4-17(22)7-19(20)23;1-10(27)25-16-8-11(5-6-23-16)12-7-13(18(22)24-9-12)19(28)26-15-4-2-3-14(20)17(15)21;1-22-16(21)19-14-7-11(4-5-18-14)12-6-13(9-17-8-12)15(20)10-2-3-10/h5-9,11-13,25H,10H2,1-4H3;2-6,8-10,12-14H,7,11H2,1H3;4-10H,11H2,1-3H3,(H,25,26,27);2-9H,1H3,(H2,22,24)(H,26,28)(H,23,25,27);4-10H,2-3H2,1H3,(H,18,19,21).

What are the key properties of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate?

5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate has a molecular weight of 1912.11 g/mol, XLogP of 17.75, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(2,3-difluorophenyl)pyridine-3-carboxamide;1-[4-[5-(benzenesulfonyl)-7H-cyclopenta[b]pyridin-3-yl]-2-pyridinyl]propan-2-one;N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;2,5-dimethyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methyl N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 159105346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).