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

C14H15N3O3 — CID 80711311

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H15N3O3/c18-9-14(4-5-14)8-16-12(19)10-7-15-11-3-1-2-6-17(11)13(10)20/h1-3,6-7,18H,4-5,8-9H2,(H,16,19)
InChIKeyGHQNOHMHGQUKTQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.20
Rot. Bonds4

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

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 80711311) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID80711311
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H15N3O3/c18-9-14(4-5-14)8-16-12(19)10-7-15-11-3-1-2-6-17(11)13(10)20/h1-3,6-7,18H,4-5,8-9H2,(H,16,19)
InChIKeyGHQNOHMHGQUKTQ-UHFFFAOYSA-N
XLogP0.20
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 80711311) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC1(CO)CC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GHQNOHMHGQUKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-9-14(4-5-14)8-16-12(19)10-7-15-11-3-1-2-6-17(11)13(10)20/h1-3,6-7,18H,4-5,8-9H2,(H,16,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 80711311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).