4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide

C16H20N4O — CID 60877624

IUPAC4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N(C)Cc2ccc(N)cc2)ccn1
InChIInChI=1S/C16H20N4O/c1-3-18-16(21)15-10-14(8-9-19-15)20(2)11-12-4-6-13(17)7-5-12/h4-10H,3,11,17H2,1-2H3,(H,18,21)
InChIKeyNYPLABIUFIZTLP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.05
Rot. Bonds5

About 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide

4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide (PubChem CID 60877624) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide
PubChem CID60877624
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N(C)Cc2ccc(N)cc2)ccn1
InChIInChI=1S/C16H20N4O/c1-3-18-16(21)15-10-14(8-9-19-15)20(2)11-12-4-6-13(17)7-5-12/h4-10H,3,11,17H2,1-2H3,(H,18,21)
InChIKeyNYPLABIUFIZTLP-UHFFFAOYSA-N
XLogP2.05
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62006034
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide
CID 75463659
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059
methyl 4-[[(2-carbamoyl-4-pyridinyl)-methylamino]methyl]benzoate
CID 133313787
N-(1,3-benzodioxol-5-ylmethyl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211009
2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid
CID 62818215
4-[benzyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109211018
4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
CID 109211114
4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide (CID 60877624) is 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(N(C)Cc2ccc(N)cc2)ccn1.
What is the InChIKey of 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide?
The InChIKey is NYPLABIUFIZTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-18-16(21)15-10-14(8-9-19-15)20(2)11-12-4-6-13(17)7-5-12/h4-10H,3,11,17H2,1-2H3,(H,18,21).
What are the key properties of 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide?
4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 60877624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).