N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H12ClN3O4 — CID 71458576

IUPACN-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnc2ccc(Cl)cn2c1=O
InChIInChI=1S/C17H12ClN3O4/c18-11-2-4-15-19-7-12(17(23)21(15)8-11)16(22)20-6-10-1-3-13-14(5-10)25-9-24-13/h1-5,7-8H,6,9H2,(H,20,22)
InChIKeyBCZINSDXRUDUOM-UHFFFAOYSA-N
MW357.75 g/mol
LogP2.01
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71458576) has the molecular formula C17H12ClN3O4 and a molecular weight of 357.75 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID71458576
Molecular FormulaC17H12ClN3O4
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnc2ccc(Cl)cn2c1=O
InChIInChI=1S/C17H12ClN3O4/c18-11-2-4-15-19-7-12(17(23)21(15)8-11)16(22)20-6-10-1-3-13-14(5-10)25-9-24-13/h1-5,7-8H,6,9H2,(H,20,22)
InChIKeyBCZINSDXRUDUOM-UHFFFAOYSA-N
XLogP2.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228237
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851794
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(3,5-dimethoxyphenyl)propanamide
CID 93011803
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-chloropyridine-4-carboxamide
CID 114923373
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 10224224
N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 35763960
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 126843646
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 5021434
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 71458576) is N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cnc2ccc(Cl)cn2c1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BCZINSDXRUDUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4/c18-11-2-4-15-19-7-12(17(23)21(15)8-11)16(22)20-6-10-1-3-13-14(5-10)25-9-24-13/h1-5,7-8H,6,9H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 357.75 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71458576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).