(5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid

C15H16N4O3 — CID 166709874

IUPAC(5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid
SMILESCC(=O)c1ccc(CN(C(=O)O)[C@H](C)c2ncccn2)nc1
InChIInChI=1S/C15H16N4O3/c1-10(14-16-6-3-7-17-14)19(15(21)22)9-13-5-4-12(8-18-13)11(2)20/h3-8,10H,9H2,1-2H3,(H,21,22)/t10-/m1/s1
InChIKeyDQZBXVXWGHTJQC-SNVBAGLBSA-N
MW300.32 g/mol
LogP2.32
Rot. Bonds5

About (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid

(5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid (PubChem CID 166709874) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid.

Molecular Properties

Compound Name(5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid
PubChem CID166709874
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid
SMILESCC(=O)c1ccc(CN(C(=O)O)[C@H](C)c2ncccn2)nc1
InChIInChI=1S/C15H16N4O3/c1-10(14-16-6-3-7-17-14)19(15(21)22)9-13-5-4-12(8-18-13)11(2)20/h3-8,10H,9H2,1-2H3,(H,21,22)/t10-/m1/s1
InChIKeyDQZBXVXWGHTJQC-SNVBAGLBSA-N
XLogP2.32
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid?
The IUPAC name of (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid (CID 166709874) is (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid.
What is the SMILES notation for (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid?
The canonical SMILES for (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid is CC(=O)c1ccc(CN(C(=O)O)[C@H](C)c2ncccn2)nc1.
What is the InChIKey of (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid?
The InChIKey is DQZBXVXWGHTJQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10(14-16-6-3-7-17-14)19(15(21)22)9-13-5-4-12(8-18-13)11(2)20/h3-8,10H,9H2,1-2H3,(H,21,22)/t10-/m1/s1.
What are the key properties of (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid?
(5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid has a molecular weight of 300.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-pyridinyl)methyl-[(1R)-1-pyrimidin-2-ylethyl]carbamic acid is sourced from PubChem (CID 166709874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).