N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide

C16H19N3O — CID 3338118

IUPACN-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(CNCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H19N3O/c1-13-4-6-14(7-5-13)11-18-9-10-19-16(20)15-3-2-8-17-12-15/h2-8,12,18H,9-11H2,1H3,(H,19,20)
InChIKeyPXXNKLFKZJPRNP-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.91
Rot. Bonds6

About N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide

N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide (PubChem CID 3338118) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
PubChem CID3338118
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(CNCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H19N3O/c1-13-4-6-14(7-5-13)11-18-9-10-19-16(20)15-3-2-8-17-12-15/h2-8,12,18H,9-11H2,1H3,(H,19,20)
InChIKeyPXXNKLFKZJPRNP-UHFFFAOYSA-N
XLogP1.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.91
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-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
N-[2-[(4-iodophenyl)methylamino]ethyl]-4-methylbenzamide
CID 65476353
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[2-[(N-benzyl-N'-methylcarbamimidoyl)amino]ethyl]pyridine-3-carboxamide
CID 110952536
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide (CID 3338118) is N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide is Cc1ccc(CNCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is PXXNKLFKZJPRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13-4-6-14(7-5-13)11-18-9-10-19-16(20)15-3-2-8-17-12-15/h2-8,12,18H,9-11H2,1H3,(H,19,20).
What are the key properties of N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide?
N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 3338118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).