N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H17N5O2 — CID 131946163

IUPACN,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1[nH]ncc1CN(C)C(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H17N5O2/c1-10-5-4-6-14-17-8-13(16(23)21(10)14)15(22)20(3)9-12-7-18-19-11(12)2/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyJKOGHIHHKUZNHJ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.31
Rot. Bonds3

About N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 131946163) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID131946163
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1[nH]ncc1CN(C)C(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H17N5O2/c1-10-5-4-6-14-17-8-13(16(23)21(10)14)15(22)20(3)9-12-7-18-19-11(12)2/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyJKOGHIHHKUZNHJ-UHFFFAOYSA-N
XLogP1.31
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 131946163) is N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1[nH]ncc1CN(C)C(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JKOGHIHHKUZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-5-4-6-14-17-8-13(16(23)21(10)14)15(22)20(3)9-12-7-18-19-11(12)2/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131946163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).