N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide

C19H22ClN3O3 — CID 4792396

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-3-23(19(25)16-6-5-11-21-18(16)26-4-2)13-17(24)22-12-14-7-9-15(20)10-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyLJECOURKPQFSHJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.91
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide (PubChem CID 4792396) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
PubChem CID4792396
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-3-23(19(25)16-6-5-11-21-18(16)26-4-2)13-17(24)22-12-14-7-9-15(20)10-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyLJECOURKPQFSHJ-UHFFFAOYSA-N
XLogP2.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide (CID 4792396) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CC)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
The InChIKey is LJECOURKPQFSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-3-23(19(25)16-6-5-11-21-18(16)26-4-2)13-17(24)22-12-14-7-9-15(20)10-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 4792396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).