4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide

C15H16ClN3O — CID 43517871

IUPAC4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2ccccc2Cl)ccn1
InChIInChI=1S/C15H16ClN3O/c1-2-17-15(20)14-9-12(7-8-18-14)19-10-11-5-3-4-6-13(11)16/h3-9H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyMNNWDLLOBYPPCV-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.10
Rot. Bonds5

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

4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide (PubChem CID 43517871) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
PubChem CID43517871
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2ccccc2Cl)ccn1
InChIInChI=1S/C15H16ClN3O/c1-2-17-15(20)14-9-12(7-8-18-14)19-10-11-5-3-4-6-13(11)16/h3-9H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyMNNWDLLOBYPPCV-UHFFFAOYSA-N
XLogP3.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109201013
4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 61401901
4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109211739
N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide
CID 75371012
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211697
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109211753
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201907
N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210753
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide (CID 43517871) is 4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(NCc2ccccc2Cl)ccn1.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide?
The InChIKey is MNNWDLLOBYPPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-17-15(20)14-9-12(7-8-18-14)19-10-11-5-3-4-6-13(11)16/h3-9H,2,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide?
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 43517871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).