2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide

C18H21FN4O3 — CID 141315242

IUPAC2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1cc(Nc2nc(N3CCCC3)c(F)cc2C(N)=O)cc(OC)c1
InChIInChI=1S/C18H21FN4O3/c1-25-12-7-11(8-13(9-12)26-2)21-17-14(16(20)24)10-15(19)18(22-17)23-5-3-4-6-23/h7-10H,3-6H2,1-2H3,(H2,20,24)(H,21,22)
InChIKeyQTXPWAZSNOPJAK-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.68
Rot. Bonds6

About 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide

2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 141315242) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID141315242
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1cc(Nc2nc(N3CCCC3)c(F)cc2C(N)=O)cc(OC)c1
InChIInChI=1S/C18H21FN4O3/c1-25-12-7-11(8-13(9-12)26-2)21-17-14(16(20)24)10-15(19)18(22-17)23-5-3-4-6-23/h7-10H,3-6H2,1-2H3,(H2,20,24)(H,21,22)
InChIKeyQTXPWAZSNOPJAK-UHFFFAOYSA-N
XLogP2.68
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
CID 69284851
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199511
5,7-bis(3,5-dimethoxyanilino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
CID 139997980
2-[2-fluoro-5-(2-oxopyrrolidin-1-yl)anilino]-4-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 59145731
6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide
CID 135305703
2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199817
N-(3,5-dimethoxyphenyl)-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 46940706
5-fluoro-2-[(7-fluoro-3-methoxy-1-methylindazol-5-yl)amino]-6-[(1-propan-2-ylcyclobutyl)amino]pyridine-3-carboxamide
CID 134188100
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
CID 25138153
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 141315242) is 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide is COc1cc(Nc2nc(N3CCCC3)c(F)cc2C(N)=O)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is QTXPWAZSNOPJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-25-12-7-11(8-13(9-12)26-2)21-17-14(16(20)24)10-15(19)18(22-17)23-5-3-4-6-23/h7-10H,3-6H2,1-2H3,(H2,20,24)(H,21,22).
What are the key properties of 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide?
2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-5-fluoro-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 141315242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).