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

C20H20N4O3 — CID 97119846

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
SMILESCN(CC[C@H](O)c1ccccc1)C(=O)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C20H20N4O3/c1-24(12-10-17(25)14-7-3-2-4-8-14)20(27)15-13-22-18(23-19(15)26)16-9-5-6-11-21-16/h2-9,11,13,17,25H,10,12H2,1H3,(H,22,23,26)/t17-/m0/s1
InChIKeyWIXIHYJGURQQCB-KRWDZBQOSA-N
MW364.41 g/mol
LogP2.03
Rot. Bonds6

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

N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 97119846) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID97119846
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
SMILESCN(CC[C@H](O)c1ccccc1)C(=O)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C20H20N4O3/c1-24(12-10-17(25)14-7-3-2-4-8-14)20(27)15-13-22-18(23-19(15)26)16-9-5-6-11-21-16/h2-9,11,13,17,25H,10,12H2,1H3,(H,22,23,26)/t17-/m0/s1
InChIKeyWIXIHYJGURQQCB-KRWDZBQOSA-N
XLogP2.03
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide (CID 97119846) is N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide is CN(CC[C@H](O)c1ccccc1)C(=O)c1cnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is WIXIHYJGURQQCB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-24(12-10-17(25)14-7-3-2-4-8-14)20(27)15-13-22-18(23-19(15)26)16-9-5-6-11-21-16/h2-9,11,13,17,25H,10,12H2,1H3,(H,22,23,26)/t17-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97119846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).