(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide

C15H19N5O3 — CID 90670938

IUPAC(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1cnc2ccccn2c1=O)C(N)=O
InChIInChI=1S/C15H19N5O3/c1-9(2)7-10(13(16)21)18-15(23)19-11-8-17-12-5-3-4-6-20(12)14(11)22/h3-6,8-10H,7H2,1-2H3,(H2,16,21)(H2,18,19,23)/t10-/m0/s1
InChIKeyAREWLKLXCADAPQ-JTQLQIEISA-N
MW317.35 g/mol
LogP0.72
Rot. Bonds5

About (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide

(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide (PubChem CID 90670938) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide
PubChem CID90670938
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1cnc2ccccn2c1=O)C(N)=O
InChIInChI=1S/C15H19N5O3/c1-9(2)7-10(13(16)21)18-15(23)19-11-8-17-12-5-3-4-6-20(12)14(11)22/h3-6,8-10H,7H2,1-2H3,(H2,16,21)(H2,18,19,23)/t10-/m0/s1
InChIKeyAREWLKLXCADAPQ-JTQLQIEISA-N
XLogP0.72
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide?
The IUPAC name of (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide (CID 90670938) is (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide is CC(C)C[C@H](NC(=O)Nc1cnc2ccccn2c1=O)C(N)=O.
What is the InChIKey of (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide?
The InChIKey is AREWLKLXCADAPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9(2)7-10(13(16)21)18-15(23)19-11-8-17-12-5-3-4-6-20(12)14(11)22/h3-6,8-10H,7H2,1-2H3,(H2,16,21)(H2,18,19,23)/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide?
(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide has a molecular weight of 317.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide is sourced from PubChem (CID 90670938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).