2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide

C24H31FN4O — CID 56573762

IUPAC2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C24H31FN4O/c25-19-9-7-10-20(17-19)28-22-21(11-8-14-26-22)23(30)27-18-24(12-3-1-4-13-24)29-15-5-2-6-16-29/h7-11,14,17H,1-6,12-13,15-16,18H2,(H,26,28)(H,27,30)
InChIKeyKYGCYFGVJAJFJO-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.88
Rot. Bonds6

About 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide

2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 56573762) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID56573762
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C24H31FN4O/c25-19-9-7-10-20(17-19)28-22-21(11-8-14-26-22)23(30)27-18-24(12-3-1-4-13-24)29-15-5-2-6-16-29/h7-11,14,17H,1-6,12-13,15-16,18H2,(H,26,28)(H,27,30)
InChIKeyKYGCYFGVJAJFJO-UHFFFAOYSA-N
XLogP4.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
[(3S)-3-aminopyrrolidin-1-yl]-[2-(3-fluoroanilino)-3-pyridinyl]methanone
CID 124698734
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide
CID 55791759
[2-(3-fluoroanilino)-3-pyridinyl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594605
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125146750

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide (CID 56573762) is 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1cccnc1Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is KYGCYFGVJAJFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c25-19-9-7-10-20(17-19)28-22-21(11-8-14-26-22)23(30)27-18-24(12-3-1-4-13-24)29-15-5-2-6-16-29/h7-11,14,17H,1-6,12-13,15-16,18H2,(H,26,28)(H,27,30).
What are the key properties of 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56573762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).