6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide

C17H20FN5O — CID 129192976

IUPAC6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2nc(NCC3(N)CC3)c(F)cc2C(N)=O)cc1
InChIInChI=1S/C17H20FN5O/c1-10-2-4-11(5-3-10)22-15-12(14(19)24)8-13(18)16(23-15)21-9-17(20)6-7-17/h2-5,8H,6-7,9,20H2,1H3,(H2,19,24)(H2,21,22,23)
InChIKeyACSGOPHCOTYNDM-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.27
Rot. Bonds6

About 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide

6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 129192976) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
PubChem CID129192976
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2nc(NCC3(N)CC3)c(F)cc2C(N)=O)cc1
InChIInChI=1S/C17H20FN5O/c1-10-2-4-11(5-3-10)22-15-12(14(19)24)8-13(18)16(23-15)21-9-17(20)6-7-17/h2-5,8H,6-7,9,20H2,1H3,(H2,19,24)(H2,21,22,23)
InChIKeyACSGOPHCOTYNDM-UHFFFAOYSA-N
XLogP2.27
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 67509421
6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 141334617
[5-carbamoyl-3-fluoro-6-(4-methylanilino)-2-pyridinyl]-dimethyl-[2-(methylamino)cyclohexyl]azanium
CID 123145499
6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 134187946
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 56599745
5-fluoro-6-(methylamino)-2-[(3-methyl-1H-isoindol-5-yl)amino]pyridine-3-carboxamide
CID 134187909
6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335824
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67775471
6-[[2-(2-aminocyclopropyl)-2-oxoethyl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-3-carboxamide
CID 67508561

Frequently Asked Questions

What is the IUPAC name of 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide (CID 129192976) is 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2nc(NCC3(N)CC3)c(F)cc2C(N)=O)cc1.
What is the InChIKey of 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is ACSGOPHCOTYNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-10-2-4-11(5-3-10)22-15-12(14(19)24)8-13(18)16(23-15)21-9-17(20)6-7-17/h2-5,8H,6-7,9,20H2,1H3,(H2,19,24)(H2,21,22,23).
What are the key properties of 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide?
6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-aminocyclopropyl)methylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 129192976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).