N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide

C18H21N3O2 — CID 108925618

IUPACN-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESCCCCC(=O)Nc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-3-6-17(22)21-16-9-7-14(8-10-16)12-20-18(23)15-5-4-11-19-13-15/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyZXGDLSZEODARBZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.14
Rot. Bonds7

About N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide

N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925618) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925618
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESCCCCC(=O)Nc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-3-6-17(22)21-16-9-7-14(8-10-16)12-20-18(23)15-5-4-11-19-13-15/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyZXGDLSZEODARBZ-UHFFFAOYSA-N
XLogP3.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746
N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925738
N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925742
N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925744
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925756
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[[4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925634
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide (CID 108925618) is N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide is CCCCC(=O)Nc1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is ZXGDLSZEODARBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-3-6-17(22)21-16-9-7-14(8-10-16)12-20-18(23)15-5-4-11-19-13-15/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide?
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).