N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide

C19H18ClN3O3 — CID 22580522

IUPACN-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-12(2)19(25)22-14-4-6-16(7-5-14)26-11-15-9-18(24)23-10-13(20)3-8-17(23)21-15/h3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyDHKQSHMBNOLOQX-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.52
Rot. Bonds5

About N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide

N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide (PubChem CID 22580522) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide
PubChem CID22580522
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-12(2)19(25)22-14-4-6-16(7-5-14)26-11-15-9-18(24)23-10-13(20)3-8-17(23)21-15/h3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyDHKQSHMBNOLOQX-UHFFFAOYSA-N
XLogP3.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(3-methoxyphenyl)urea
CID 46356780
N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]adamantane-1-carboxamide
CID 46356760
1-(2-chloro-4-methylphenyl)-3-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356637
2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2363789
1-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(2-methylphenyl)urea
CID 46356697
7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2385146
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-ethoxybenzoate
CID 18199867
1-(3-chloro-4-fluorophenyl)-3-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46183564
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 166333315
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355951
methyl 2-[[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356634

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide (CID 22580522) is N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1.
What is the InChIKey of N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide?
The InChIKey is DHKQSHMBNOLOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12(2)19(25)22-14-4-6-16(7-5-14)26-11-15-9-18(24)23-10-13(20)3-8-17(23)21-15/h3-10,12H,11H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide?
N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide has a molecular weight of 371.82 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-methylpropanamide is sourced from PubChem (CID 22580522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).