N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H16N4O3 — CID 120947785

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H16N4O3/c19-11-8-15-5-9(11)6-17-13(20)10-7-16-12-3-1-2-4-18(12)14(10)21/h1-4,7,9,11,15,19H,5-6,8H2,(H,17,20)
InChIKeyGZWQYSZVIWVOCL-UHFFFAOYSA-N
MW288.31 g/mol
LogP-1.00
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 120947785) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID120947785
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H16N4O3/c19-11-8-15-5-9(11)6-17-13(20)10-7-16-12-3-1-2-4-18(12)14(10)21/h1-4,7,9,11,15,19H,5-6,8H2,(H,17,20)
InChIKeyGZWQYSZVIWVOCL-UHFFFAOYSA-N
XLogP-1.00
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 118789772
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120947622
N-[(1-hydroxycyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111459389
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120946954
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614989
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 120947785) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC1CNCC1O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GZWQYSZVIWVOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-11-8-15-5-9(11)6-17-13(20)10-7-16-12-3-1-2-4-18(12)14(10)21/h1-4,7,9,11,15,19H,5-6,8H2,(H,17,20).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 120947785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).