N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide

C16H21N5O — CID 119609496

IUPACN-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESNCC1CCCCC1NC(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C16H21N5O/c17-11-12-4-1-2-5-14(12)20-16(22)15-10-13(6-8-18-15)21-9-3-7-19-21/h3,6-10,12,14H,1-2,4-5,11,17H2,(H,20,22)
InChIKeyKINXLBCKBCEJPX-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide

N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 119609496) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID119609496
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESNCC1CCCCC1NC(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C16H21N5O/c17-11-12-4-1-2-5-14(12)20-16(22)15-10-13(6-8-18-15)21-9-3-7-19-21/h3,6-10,12,14H,1-2,4-5,11,17H2,(H,20,22)
InChIKeyKINXLBCKBCEJPX-UHFFFAOYSA-N
XLogP1.51
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 119602877
N-(4-aminocyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119474816
N-[(1S,2R)-2-phenylcyclobutyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 97081710
(2R,3S)-3-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]oxolane-2-carboxylic acid
CID 138032469
N-(4-hydroxycyclohexyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 111433062
N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610419
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119405198
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-[(1S,2S)-2-carbamoylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 96528372
N-(2-amino-2-methylpropyl)-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119626185
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 120947554

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide (CID 119609496) is N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide is NCC1CCCCC1NC(=O)c1cc(-n2cccn2)ccn1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is KINXLBCKBCEJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-11-12-4-1-2-5-14(12)20-16(22)15-10-13(6-8-18-15)21-9-3-7-19-21/h3,6-10,12,14H,1-2,4-5,11,17H2,(H,20,22).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 119609496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).