6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide

C13H19FN4O2 — CID 46182713

IUPAC6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(NC2CCC(N)CC2)c(F)cc1C(N)=O
InChIInChI=1S/C13H19FN4O2/c1-20-13-9(11(16)19)6-10(14)12(18-13)17-8-4-2-7(15)3-5-8/h6-8H,2-5,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyIMZIJLMIOSQRGE-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.01
Rot. Bonds4

About 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide

6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide (PubChem CID 46182713) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide
PubChem CID46182713
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(NC2CCC(N)CC2)c(F)cc1C(N)=O
InChIInChI=1S/C13H19FN4O2/c1-20-13-9(11(16)19)6-10(14)12(18-13)17-8-4-2-7(15)3-5-8/h6-8H,2-5,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyIMZIJLMIOSQRGE-UHFFFAOYSA-N
XLogP1.01
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 21852725
5-Bromo-2-methoxy-6-methylamino-N-(1-methyl-4-propyl-[1,4]diazepan-6-yl)-nicotinamide
CID 44375747
5-Bromo-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10862569
5-Chloro-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10915622
5-Bromo-N-(1-ethyl-4-propyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 44375753
5-Bromo-N-((R)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 9843910
5-Bromo-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10894643
N-[(3-fluorophenyl)methyl]-2-methoxy-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 56962838
5-Chloro-N-(1,4-dimethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10925901
5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10937177
5-Chloro-6-ethylamino-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-nicotinamide
CID 11003173
5-Bromo-6-dimethylamino-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-nicotinamide
CID 11047938

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide (CID 46182713) is 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide is COc1nc(NC2CCC(N)CC2)c(F)cc1C(N)=O.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide?
The InChIKey is IMZIJLMIOSQRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-20-13-9(11(16)19)6-10(14)12(18-13)17-8-4-2-7(15)3-5-8/h6-8H,2-5,15H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide?
6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]-5-fluoro-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 46182713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).