2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide

C18H24N4O — CID 167866687

IUPAC2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C18H24N4O/c1-18(2)9-4-3-6-15(18)17(23)20-13-14-7-8-16(19-12-14)22-11-5-10-21-22/h5,7-8,10-12,15H,3-4,6,9,13H2,1-2H3,(H,20,23)
InChIKeyAMHXKNLRNXTSIW-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.10
Rot. Bonds4

About 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide

2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide (PubChem CID 167866687) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
PubChem CID167866687
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C18H24N4O/c1-18(2)9-4-3-6-15(18)17(23)20-13-14-7-8-16(19-12-14)22-11-5-10-21-22/h5,7-8,10-12,15H,3-4,6,9,13H2,1-2H3,(H,20,23)
InChIKeyAMHXKNLRNXTSIW-UHFFFAOYSA-N
XLogP3.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 75264160
1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56818493
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
3-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 51131145
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
N-[[4-(chloromethyl)phenyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107233411
5-(2-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986265
(3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 134192967
5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 107175730
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 98727349

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide (CID 167866687) is 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is AMHXKNLRNXTSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2)9-4-3-6-15(18)17(23)20-13-14-7-8-16(19-12-14)22-11-5-10-21-22/h5,7-8,10-12,15H,3-4,6,9,13H2,1-2H3,(H,20,23).
What are the key properties of 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide?
2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167866687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).