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

C15H16ClN3O — CID 133471121

IUPAC4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide
SMILESCN(CCc1ccc(Cl)cc1)c1ccncc1C(N)=O
InChIInChI=1S/C15H16ClN3O/c1-19(9-7-11-2-4-12(16)5-3-11)14-6-8-18-10-13(14)15(17)20/h2-6,8,10H,7,9H2,1H3,(H2,17,20)
InChIKeyIUZZUTFRKNZNGI-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.51
Rot. Bonds5

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

4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide (PubChem CID 133471121) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide
PubChem CID133471121
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide
SMILESCN(CCc1ccc(Cl)cc1)c1ccncc1C(N)=O
InChIInChI=1S/C15H16ClN3O/c1-19(9-7-11-2-4-12(16)5-3-11)14-6-8-18-10-13(14)15(17)20/h2-6,8,10H,7,9H2,1H3,(H2,17,20)
InChIKeyIUZZUTFRKNZNGI-UHFFFAOYSA-N
XLogP2.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
4-[methyl(pyrazin-2-ylmethyl)amino]pyridine-3-carboxamide
CID 133471489
5-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 107928594
3-[(3-chloro-4-pyridinyl)-methylamino]propanethioamide
CID 79840987
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
4-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]pyridine-3-carboxamide
CID 133454804
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109257591
2-chloro-4-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 81151057

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide (CID 133471121) is 4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide is CN(CCc1ccc(Cl)cc1)c1ccncc1C(N)=O.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide?
The InChIKey is IUZZUTFRKNZNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(9-7-11-2-4-12(16)5-3-11)14-6-8-18-10-13(14)15(17)20/h2-6,8,10H,7,9H2,1H3,(H2,17,20).
What are the key properties of 4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide?
4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133471121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).