N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide

C21H25N3O2 — CID 108925756

IUPACN-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(CC1CCCCC1)Nc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H25N3O2/c25-20(13-16-5-2-1-3-6-16)24-19-10-8-17(9-11-19)14-23-21(26)18-7-4-12-22-15-18/h4,7-12,15-16H,1-3,5-6,13-14H2,(H,23,26)(H,24,25)
InChIKeyLNHHPOFEKQTFAF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.92
Rot. Bonds6

About N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925756) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925756
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(CC1CCCCC1)Nc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H25N3O2/c25-20(13-16-5-2-1-3-6-16)24-19-10-8-17(9-11-19)14-23-21(26)18-7-4-12-22-15-18/h4,7-12,15-16H,1-3,5-6,13-14H2,(H,23,26)(H,24,25)
InChIKeyLNHHPOFEKQTFAF-UHFFFAOYSA-N
XLogP3.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926494
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926378
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870444
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925742

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108925756) is N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is O=C(CC1CCCCC1)Nc1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is LNHHPOFEKQTFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(13-16-5-2-1-3-6-16)24-19-10-8-17(9-11-19)14-23-21(26)18-7-4-12-22-15-18/h4,7-12,15-16H,1-3,5-6,13-14H2,(H,23,26)(H,24,25).
What are the key properties of N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).