N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide

C15H23N3O — CID 103970220

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC2(CN)CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-12-7-13(9-17-8-12)14(19)18-11-15(10-16)5-3-2-4-6-15/h7-9H,2-6,10-11,16H2,1H3,(H,18,19)
InChIKeyXAFHWQICFZURLM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.03
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide (PubChem CID 103970220) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
PubChem CID103970220
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC2(CN)CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-12-7-13(9-17-8-12)14(19)18-11-15(10-16)5-3-2-4-6-15/h7-9H,2-6,10-11,16H2,1H3,(H,18,19)
InChIKeyXAFHWQICFZURLM-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
CID 113294750
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461
N-[(3-hydroxythiolan-3-yl)methyl]-5-methylpyridine-3-carboxamide
CID 111596832
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104785541
(1-aminocyclopentyl)-(5-methyl-3-pyridinyl)methanone
CID 116558812
methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 71995092
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide (CID 103970220) is N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCC2(CN)CCCCC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide?
The InChIKey is XAFHWQICFZURLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-7-13(9-17-8-12)14(19)18-11-15(10-16)5-3-2-4-6-15/h7-9H,2-6,10-11,16H2,1H3,(H,18,19).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 103970220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).