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

C20H23N3O2 — CID 108926249

IUPACN-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CCCCC2)c1)c1cccnc1
InChIInChI=1S/C20H23N3O2/c24-19(16-7-2-1-3-8-16)22-13-15-6-4-10-18(12-15)23-20(25)17-9-5-11-21-14-17/h4-6,9-12,14,16H,1-3,7-8,13H2,(H,22,24)(H,23,25)
InChIKeyVZKGNXQXPAVLIE-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.53
Rot. Bonds5

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

N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926249) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926249
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CCCCC2)c1)c1cccnc1
InChIInChI=1S/C20H23N3O2/c24-19(16-7-2-1-3-8-16)22-13-15-6-4-10-18(12-15)23-20(25)17-9-5-11-21-14-17/h4-6,9-12,14,16H,1-3,7-8,13H2,(H,22,24)(H,23,25)
InChIKeyVZKGNXQXPAVLIE-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.53
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-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926378
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 52989302
N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926549
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427

Frequently Asked Questions

What is the IUPAC name of N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide (CID 108926249) is N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(CNC(=O)C2CCCCC2)c1)c1cccnc1.
What is the InChIKey of N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is VZKGNXQXPAVLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(16-7-2-1-3-8-16)22-13-15-6-4-10-18(12-15)23-20(25)17-9-5-11-21-14-17/h4-6,9-12,14,16H,1-3,7-8,13H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide?
N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).