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

C18H24N4O3 — CID 135681071

IUPAC2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C18H24N4O3/c1-13-7-2-4-10-21(13)11-6-9-19-16(23)15-17(24)20-14-8-3-5-12-22(14)18(15)25/h3,5,8,12-13,24H,2,4,6-7,9-11H2,1H3,(H,19,23)
InChIKeyHDTCSNZYLQUKQX-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.39
Rot. Bonds5

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

2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681071) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681071
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C18H24N4O3/c1-13-7-2-4-10-21(13)11-6-9-19-16(23)15-17(24)20-14-8-3-5-12-22(14)18(15)25/h3,5,8,12-13,24H,2,4,6-7,9-11H2,1H3,(H,19,23)
InChIKeyHDTCSNZYLQUKQX-UHFFFAOYSA-N
XLogP1.39
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681071) is 2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC1CCCCN1CCCNC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HDTCSNZYLQUKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-7-2-4-10-21(13)11-6-9-19-16(23)15-17(24)20-14-8-3-5-12-22(14)18(15)25/h3,5,8,12-13,24H,2,4,6-7,9-11H2,1H3,(H,19,23).
What are the key properties of 2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).