N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide

C18H23N3O — CID 44764093

IUPACN-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-14(2)21-17-11-10-16(13-20-17)18(22)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYGJBVHMZSCXPCB-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.26
Rot. Bonds7

About N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide

N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 44764093) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID44764093
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-14(2)21-17-11-10-16(13-20-17)18(22)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYGJBVHMZSCXPCB-UHFFFAOYSA-N
XLogP3.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764046
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 146091348
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 44764093) is N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1ccc(C(=O)NCCCc2ccccc2)cn1.
What is the InChIKey of N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is YGJBVHMZSCXPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(2)21-17-11-10-16(13-20-17)18(22)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide?
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 44764093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).