N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide

C16H18ClN3O — CID 62179083

IUPACN-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-3-18-15-14(8-5-9-19-15)16(21)20(2)11-12-6-4-7-13(17)10-12/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyPSJOKFYHFLOELE-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.44
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide (PubChem CID 62179083) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
PubChem CID62179083
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-3-18-15-14(8-5-9-19-15)16(21)20(2)11-12-6-4-7-13(17)10-12/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyPSJOKFYHFLOELE-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62179082
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62170886
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62169198
2-(ethylamino)-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62178139
2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112664065
N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
CID 107358643
1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
CID 103721743
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81239957
2-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168546

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide (CID 62179083) is N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide is CCNc1ncccc1C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is PSJOKFYHFLOELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-18-15-14(8-5-9-19-15)16(21)20(2)11-12-6-4-7-13(17)10-12/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62179083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).