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

C20H23N3O2 — CID 108926494

IUPACN-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CC1CCCC1)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C20H23N3O2/c24-19(12-15-5-1-2-6-15)22-13-16-7-3-9-18(11-16)23-20(25)17-8-4-10-21-14-17/h3-4,7-11,14-15H,1-2,5-6,12-13H2,(H,22,24)(H,23,25)
InChIKeyFSOVSAZZGKOGCL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.53
Rot. Bonds6

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

N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926494) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926494
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CC1CCCC1)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C20H23N3O2/c24-19(12-15-5-1-2-6-15)22-13-16-7-3-9-18(11-16)23-20(25)17-8-4-10-21-14-17/h3-4,7-11,14-15H,1-2,5-6,12-13H2,(H,22,24)(H,23,25)
InChIKeyFSOVSAZZGKOGCL-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926249
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926378
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925756
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926492
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 108926494) is N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide is O=C(CC1CCCC1)NCc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is FSOVSAZZGKOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(12-15-5-1-2-6-15)22-13-16-7-3-9-18(11-16)23-20(25)17-8-4-10-21-14-17/h3-4,7-11,14-15H,1-2,5-6,12-13H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).