N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide

C20H27N3O — CID 109216678

IUPACN-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCCc2ccccc2)ccn1
InChIInChI=1S/C20H27N3O/c1-3-4-15-23(2)20(24)19-16-18(12-14-22-19)21-13-8-11-17-9-6-5-7-10-17/h5-7,9-10,12,14,16H,3-4,8,11,13,15H2,1-2H3,(H,21,22)
InChIKeyFKRWVYJZSWKBKT-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.00
Rot. Bonds9

About N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide

N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 109216678) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID109216678
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCCc2ccccc2)ccn1
InChIInChI=1S/C20H27N3O/c1-3-4-15-23(2)20(24)19-16-18(12-14-22-19)21-13-8-11-17-9-6-5-7-10-17/h5-7,9-10,12,14,16H,3-4,8,11,13,15H2,1-2H3,(H,21,22)
InChIKeyFKRWVYJZSWKBKT-UHFFFAOYSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 60704743
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202347
N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213670
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide
CID 60793876
2-[methyl(4-phenylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055292
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213681
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109214999
N-benzyl-4-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210893

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide (CID 109216678) is N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(NCCCc2ccccc2)ccn1.
What is the InChIKey of N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is FKRWVYJZSWKBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-4-15-23(2)20(24)19-16-18(12-14-22-19)21-13-8-11-17-9-6-5-7-10-17/h5-7,9-10,12,14,16H,3-4,8,11,13,15H2,1-2H3,(H,21,22).
What are the key properties of N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide?
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109216678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).