N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide

C14H21N3O — CID 119404249

IUPACN-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1(N)CCCCC1
InChIInChI=1S/C14H21N3O/c1-11-6-5-9-16-12(11)13(18)17-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,17,18)
InChIKeyWRURKZDJGWUYRC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.78
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide

N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide (PubChem CID 119404249) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
PubChem CID119404249
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1(N)CCCCC1
InChIInChI=1S/C14H21N3O/c1-11-6-5-9-16-12(11)13(18)17-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,17,18)
InChIKeyWRURKZDJGWUYRC-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
CID 119259809
N-(1-carbamothioylcyclooctyl)-3-methylpyridine-2-carboxamide
CID 62340478
N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 119404313
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148227
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
CID 107301519
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
CID 55059760
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide
CID 91773288

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide (CID 119404249) is N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCC1(N)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is WRURKZDJGWUYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-6-5-9-16-12(11)13(18)17-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,17,18).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide?
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 119404249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).