N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide

C21H22Cl2N4O2 — CID 42916702

IUPACN-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C21H22Cl2N4O2/c1-3-8-26(13-19(28)25-18-10-15(22)6-7-17(18)23)12-16-11-20(29)27-9-4-5-14(2)21(27)24-16/h4-7,9-11H,3,8,12-13H2,1-2H3,(H,25,28)
InChIKeyYMHMXIOZHQMIJK-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.16
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide

N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide (PubChem CID 42916702) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide
PubChem CID42916702
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC NameN-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C21H22Cl2N4O2/c1-3-8-26(13-19(28)25-18-10-15(22)6-7-17(18)23)12-16-11-20(29)27-9-4-5-14(2)21(27)24-16/h4-7,9-11H,3,8,12-13H2,1-2H3,(H,25,28)
InChIKeyYMHMXIOZHQMIJK-UHFFFAOYSA-N
XLogP4.16
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 18199923
2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787833
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8001790
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 56792887
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-(2-bromophenyl)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]acetamide
CID 24681171
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
CID 2541352
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide
CID 4789849

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide (CID 42916702) is N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide?
The InChIKey is YMHMXIOZHQMIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c1-3-8-26(13-19(28)25-18-10-15(22)6-7-17(18)23)12-16-11-20(29)27-9-4-5-14(2)21(27)24-16/h4-7,9-11H,3,8,12-13H2,1-2H3,(H,25,28).
What are the key properties of N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide?
N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide has a molecular weight of 433.34 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide is sourced from PubChem (CID 42916702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).