cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C23H22F2N4O3 — CID 171556510

IUPACcis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C(=O)CCCF)ncc1-c1cc2cnc(NC(=O)[C@H]3C[C@H]3F)cc2n(C)c1=O
InChIInChI=1S/C23H22F2N4O3/c1-12-6-18(20(30)4-3-5-24)26-11-16(12)14-7-13-10-27-21(9-19(13)29(2)23(14)32)28-22(31)15-8-17(15)25/h6-7,9-11,15,17H,3-5,8H2,1-2H3,(H,27,28,31)/t15-,17+/m0/s1
InChIKeyPVEJJVPCBSFNEZ-DOTOQJQBSA-N
MW440.45 g/mol
LogP3.53
Rot. Bonds7

About cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 171556510) has the molecular formula C23H22F2N4O3 and a molecular weight of 440.45 g/mol. Its IUPAC name is cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID171556510
Molecular FormulaC23H22F2N4O3
Molecular Weight440.45 g/mol
Exact Mass440.17
IUPAC Namecis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCc1cc(C(=O)CCCF)ncc1-c1cc2cnc(NC(=O)[C@H]3C[C@H]3F)cc2n(C)c1=O
InChIInChI=1S/C23H22F2N4O3/c1-12-6-18(20(30)4-3-5-24)26-11-16(12)14-7-13-10-27-21(9-19(13)29(2)23(14)32)28-22(31)15-8-17(15)25/h6-7,9-11,15,17H,3-5,8H2,1-2H3,(H,27,28,31)/t15-,17+/m0/s1
InChIKeyPVEJJVPCBSFNEZ-DOTOQJQBSA-N
XLogP3.53
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

Lasmiditan
CID 11610526
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[4,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548299
6-cyclopropyl-N-[3,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548325
6-cyclopropyl-N-[5-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548376
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-Pyrimidinecarboxamide,2-amino-n-[(3-methyl-2-pyridinyl)methyl]-6-phenyl-
CID 44520988
6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 54760375
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3,3-difluoro-pyrrolidine-1-carbonyl)-pyridin-3-yl]-amide
CID 54760567
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760756

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 171556510) is cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is Cc1cc(C(=O)CCCF)ncc1-c1cc2cnc(NC(=O)[C@H]3C[C@H]3F)cc2n(C)c1=O.
What is the InChIKey of cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is PVEJJVPCBSFNEZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C23H22F2N4O3/c1-12-6-18(20(30)4-3-5-24)26-11-16(12)14-7-13-10-27-21(9-19(13)29(2)23(14)32)28-22(31)15-8-17(15)25/h6-7,9-11,15,17H,3-5,8H2,1-2H3,(H,27,28,31)/t15-,17+/m0/s1.
What are the key properties of cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171556510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).