N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C25H34N4O — CID 46044852

IUPACN-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C25H34N4O/c1-19-9-10-23(25(30)27-17-20-6-3-2-4-7-20)24(28-19)22-11-14-29(15-12-22)18-21-8-5-13-26-16-21/h5,8-10,13,16,20,22H,2-4,6-7,11-12,14-15,17-18H2,1H3,(H,27,30)
InChIKeyHQZUDLFVNMCQOH-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.47
Rot. Bonds6

About N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 46044852) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID46044852
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC NameN-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3cccnc3)CC2)n1
InChIInChI=1S/C25H34N4O/c1-19-9-10-23(25(30)27-17-20-6-3-2-4-7-20)24(28-19)22-11-14-29(15-12-22)18-21-8-5-13-26-16-21/h5,8-10,13,16,20,22H,2-4,6-7,11-12,14-15,17-18H2,1H3,(H,27,30)
InChIKeyHQZUDLFVNMCQOH-UHFFFAOYSA-N
XLogP4.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46069178
2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895885
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069186
(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96572438
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
(2-nitrophenyl) 4-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]piperidine-1-carboxylate
CID 5019543
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895865

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 46044852) is N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3cccnc3)CC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is HQZUDLFVNMCQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-19-9-10-23(25(30)27-17-20-6-3-2-4-7-20)24(28-19)22-11-14-29(15-12-22)18-21-8-5-13-26-16-21/h5,8-10,13,16,20,22H,2-4,6-7,11-12,14-15,17-18H2,1H3,(H,27,30).
What are the key properties of N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46044852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).