5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide

C16H18ClN3O — CID 62312710

IUPAC5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCc2cccc(C)c2)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-4-3-5-12(8-11)6-7-19-16(21)13-9-14(17)15(18-2)20-10-13/h3-5,8-10H,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJBMFCULBKONNOF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.06
Rot. Bonds5

About 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide

5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 62312710) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID62312710
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCc2cccc(C)c2)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-4-3-5-12(8-11)6-7-19-16(21)13-9-14(17)15(18-2)20-10-13/h3-5,8-10H,6-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJBMFCULBKONNOF-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426
6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 63978992
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide (CID 62312710) is 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide is CNc1ncc(C(=O)NCCc2cccc(C)c2)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is JBMFCULBKONNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-4-3-5-12(8-11)6-7-19-16(21)13-9-14(17)15(18-2)20-10-13/h3-5,8-10H,6-7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 62312710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).