2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide

C14H16N4O3 — CID 97138963

IUPAC2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@H](C)Oc2cccnc2)c(=O)[nH]1
InChIInChI=1S/C14H16N4O3/c1-9(21-11-4-3-5-15-7-11)6-17-13(19)12-8-16-10(2)18-14(12)20/h3-5,7-9H,6H2,1-2H3,(H,17,19)(H,16,18,20)/t9-/m0/s1
InChIKeyFYXTUYHZRNCXRU-VIFPVBQESA-N
MW288.31 g/mol
LogP0.67
Rot. Bonds5

About 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide

2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide (PubChem CID 97138963) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide
PubChem CID97138963
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@H](C)Oc2cccnc2)c(=O)[nH]1
InChIInChI=1S/C14H16N4O3/c1-9(21-11-4-3-5-15-7-11)6-17-13(19)12-8-16-10(2)18-14(12)20/h3-5,7-9H,6H2,1-2H3,(H,17,19)(H,16,18,20)/t9-/m0/s1
InChIKeyFYXTUYHZRNCXRU-VIFPVBQESA-N
XLogP0.67
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide (CID 97138963) is 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC[C@H](C)Oc2cccnc2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is FYXTUYHZRNCXRU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9(21-11-4-3-5-15-7-11)6-17-13(19)12-8-16-10(2)18-14(12)20/h3-5,7-9H,6H2,1-2H3,(H,17,19)(H,16,18,20)/t9-/m0/s1.
What are the key properties of 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide?
2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[(2S)-2-pyridin-3-yloxypropyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97138963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).