N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide

C22H27N3O2 — CID 108926378

IUPACN-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(CCC1CCCCC1)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C22H27N3O2/c26-21(12-11-17-6-2-1-3-7-17)25-20-10-4-8-18(14-20)15-24-22(27)19-9-5-13-23-16-19/h4-5,8-10,13-14,16-17H,1-3,6-7,11-12,15H2,(H,24,27)(H,25,26)
InChIKeyHWCFPJIHNRUKIM-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.31
Rot. Bonds7

About N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide

N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926378) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926378
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(CCC1CCCCC1)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C22H27N3O2/c26-21(12-11-17-6-2-1-3-7-17)25-20-10-4-8-18(14-20)15-24-22(27)19-9-5-13-23-16-19/h4-5,8-10,13-14,16-17H,1-3,6-7,11-12,15H2,(H,24,27)(H,25,26)
InChIKeyHWCFPJIHNRUKIM-UHFFFAOYSA-N
XLogP4.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.31
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-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926249
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925756
N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926549
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[[3-[4-(2,6-dimethylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926336
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[[3-[4-(2-methylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926346
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide (CID 108926378) is N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide is O=C(CCC1CCCCC1)Nc1cccc(CNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is HWCFPJIHNRUKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(12-11-17-6-2-1-3-7-17)25-20-10-4-8-18(14-20)15-24-22(27)19-9-5-13-23-16-19/h4-5,8-10,13-14,16-17H,1-3,6-7,11-12,15H2,(H,24,27)(H,25,26).
What are the key properties of N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide?
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).