N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide

C21H18ClN3O2 — CID 44579189

IUPACN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CNC(=O)c1ccncc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)
InChIKeyBRQGGNFXDOXIBW-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide

N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 44579189) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID44579189
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CNC(=O)c1ccncc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)
InChIKeyBRQGGNFXDOXIBW-UHFFFAOYSA-N
XLogP3.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide (CID 44579189) is N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide is O=C(CNC(=O)c1ccncc1)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is BRQGGNFXDOXIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide?
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 44579189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).