N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide

C20H21ClN4O2 — CID 18199923

IUPACN-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C20H21ClN4O2/c1-3-24(13-19(26)23-17-10-15(21)8-7-14(17)2)12-16-11-20(27)25-9-5-4-6-18(25)22-16/h4-11H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyZXPBFDZDILRVBC-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.12
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide (PubChem CID 18199923) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
PubChem CID18199923
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C20H21ClN4O2/c1-3-24(13-19(26)23-17-10-15(21)8-7-14(17)2)12-16-11-20(27)25-9-5-4-6-18(25)22-16/h4-11H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyZXPBFDZDILRVBC-UHFFFAOYSA-N
XLogP3.12
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide
CID 42916702
3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 61009236
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030884
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 8791826
N-(5-chloro-2-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036573
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide (CID 18199923) is N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
The InChIKey is ZXPBFDZDILRVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-3-24(13-19(26)23-17-10-15(21)8-7-14(17)2)12-16-11-20(27)25-9-5-4-6-18(25)22-16/h4-11H,3,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide has a molecular weight of 384.87 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 18199923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).