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

C16H18N4O2 — CID 51100165

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H18N4O2/c21-15(18-11-6-8-19(10-11)12-4-5-12)13-9-17-14-3-1-2-7-20(14)16(13)22/h1-3,7,9,11-12H,4-6,8,10H2,(H,18,21)
InChIKeyMPCODIIXPRFLOI-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.66
Rot. Bonds3

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

N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51100165) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51100165
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H18N4O2/c21-15(18-11-6-8-19(10-11)12-4-5-12)13-9-17-14-3-1-2-7-20(14)16(13)22/h1-3,7,9,11-12H,4-6,8,10H2,(H,18,21)
InChIKeyMPCODIIXPRFLOI-UHFFFAOYSA-N
XLogP0.66
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51100165) is N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCN(C2CC2)C1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MPCODIIXPRFLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15(18-11-6-8-19(10-11)12-4-5-12)13-9-17-14-3-1-2-7-20(14)16(13)22/h1-3,7,9,11-12H,4-6,8,10H2,(H,18,21).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51100165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).