N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide

C15H14ClN3O2 — CID 110705421

IUPACN-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-13-6-2-1-4-11(13)9-18-14(20)10-19-15(21)12-5-3-7-17-8-12/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyXFRGBNNEUILYCW-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.78
Rot. Bonds5

About N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 110705421) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID110705421
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-13-6-2-1-4-11(13)9-18-14(20)10-19-15(21)12-5-3-7-17-8-12/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyXFRGBNNEUILYCW-UHFFFAOYSA-N
XLogP1.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
N'-[3-(2-chlorophenyl)propanoyl]pyridine-3-carbohydrazide
CID 30944808
N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925213
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-[(4,6-dichloro-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 178023307
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 112992648
N-benzylpyridine-3-carboxamide chloride
CID 21204170

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide (CID 110705421) is N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide is O=C(CNC(=O)c1cccnc1)NCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is XFRGBNNEUILYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-6-2-1-4-11(13)9-18-14(20)10-19-15(21)12-5-3-7-17-8-12/h1-8H,9-10H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110705421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).