N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C18H20ClN3O3 — CID 74235089

IUPACN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C18H20ClN3O3/c1-11(2)15-8-7-13(18(25)22-15)17(24)21-10-9-20-16(23)12-5-3-4-6-14(12)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyBNJJJMKXAWEPFA-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 74235089) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID74235089
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C18H20ClN3O3/c1-11(2)15-8-7-13(18(25)22-15)17(24)21-10-9-20-16(23)12-5-3-4-6-14(12)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyBNJJJMKXAWEPFA-UHFFFAOYSA-N
XLogP2.31
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 171444803
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 74234352
2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119703576
4-bromo-N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563429
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 74235089) is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is BNJJJMKXAWEPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11(2)15-8-7-13(18(25)22-15)17(24)21-10-9-20-16(23)12-5-3-4-6-14(12)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 74235089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).