2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide

C22H23N5O4S — CID 71061133

IUPAC2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C22H23N5O4S/c23-21-20(22(29)26-17-4-8-24-9-5-17)13-16(14-25-21)15-2-1-3-19(12-15)32(30,31)27-10-6-18(28)7-11-27/h1-5,8-9,12-14,18,28H,6-7,10-11H2,(H2,23,25)(H,24,26,29)
InChIKeyIMNMNIUTDUKZDE-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.12
Rot. Bonds5

About 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide

2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 71061133) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID71061133
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC Name2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C22H23N5O4S/c23-21-20(22(29)26-17-4-8-24-9-5-17)13-16(14-25-21)15-2-1-3-19(12-15)32(30,31)27-10-6-18(28)7-11-27/h1-5,8-9,12-14,18,28H,6-7,10-11H2,(H2,23,25)(H,24,26,29)
InChIKeyIMNMNIUTDUKZDE-UHFFFAOYSA-N
XLogP2.12
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-pyridin-4-yl-5-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 71080374
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate
CID 174791748
2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 123201906
2-amino-5-(1,5-dihydroimidazo[1,2-a]pyridin-2-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 71062414
N-(4-fluoro-3-isocyanophenyl)-3-(4-hydroxypiperidin-1-yl)sulfonylbenzamide
CID 123891124
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 24687022
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
2-(azepan-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151302120
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide (CID 71061133) is 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide is Nc1ncc(-c2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is IMNMNIUTDUKZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c23-21-20(22(29)26-17-4-8-24-9-5-17)13-16(14-25-21)15-2-1-3-19(12-15)32(30,31)27-10-6-18(28)7-11-27/h1-5,8-9,12-14,18,28H,6-7,10-11H2,(H2,23,25)(H,24,26,29).
What are the key properties of 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide?
2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 71061133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).