N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide

C20H18ClN3O — CID 113012292

IUPACN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H18ClN3O/c21-17-8-6-16(7-9-17)13-22-19-11-10-18(14-23-19)24-20(25)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,22,23)(H,24,25)
InChIKeyKOVGLVFHBBJRDM-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.53
Rot. Bonds6

About N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide (PubChem CID 113012292) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
PubChem CID113012292
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C20H18ClN3O/c21-17-8-6-16(7-9-17)13-22-19-11-10-18(14-23-19)24-20(25)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,22,23)(H,24,25)
InChIKeyKOVGLVFHBBJRDM-UHFFFAOYSA-N
XLogP4.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009343
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide
CID 82034183
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide (CID 113012292) is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is KOVGLVFHBBJRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-17-8-6-16(7-9-17)13-22-19-11-10-18(14-23-19)24-20(25)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,22,23)(H,24,25).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide?
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 351.84 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 113012292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).