4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide

C16H20N4O — CID 81035906

IUPAC4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(NCCc2ccc(N)cc2)c(C(N)=O)c(C)n1
InChIInChI=1S/C16H20N4O/c1-10-9-14(15(16(18)21)11(2)20-10)19-8-7-12-3-5-13(17)6-4-12/h3-6,9H,7-8,17H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyXFIKEDJEPFGSRK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.03
Rot. Bonds5

About 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide

4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 81035906) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
PubChem CID81035906
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(NCCc2ccc(N)cc2)c(C(N)=O)c(C)n1
InChIInChI=1S/C16H20N4O/c1-10-9-14(15(16(18)21)11(2)20-10)19-8-7-12-3-5-13(17)6-4-12/h3-6,9H,7-8,17H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyXFIKEDJEPFGSRK-UHFFFAOYSA-N
XLogP2.03
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
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

2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide
CID 81051566
4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037398
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
2,6-dimethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488661
4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
CID 81036110
4-[(2-amino-2-ethylbutyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 115306287
2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 115430208
4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-3-methylbutanoic acid
CID 81065938
2,6-dimethyl-4-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxamide
CID 81036507
2-[2-(4-aminophenyl)ethylamino]-5-bromobenzamide
CID 114893954
2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106423238
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide (CID 81035906) is 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide is Cc1cc(NCCc2ccc(N)cc2)c(C(N)=O)c(C)n1.
What is the InChIKey of 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is XFIKEDJEPFGSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-9-14(15(16(18)21)11(2)20-10)19-8-7-12-3-5-13(17)6-4-12/h3-6,9H,7-8,17H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide?
4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81035906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).