N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide

C18H22N4O3 — CID 70734672

IUPACN-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C18H22N4O3/c1-22(10-4-6-13-7-5-11-25-13)18(24)14-12-20-16(21-17(14)23)15-8-2-3-9-19-15/h2-3,8-9,12-13H,4-7,10-11H2,1H3,(H,20,21,23)
InChIKeyYVSRKSCMKUBAJH-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.86
Rot. Bonds6

About N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide

N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 70734672) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID70734672
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C18H22N4O3/c1-22(10-4-6-13-7-5-11-25-13)18(24)14-12-20-16(21-17(14)23)15-8-2-3-9-19-15/h2-3,8-9,12-13H,4-7,10-11H2,1H3,(H,20,21,23)
InChIKeyYVSRKSCMKUBAJH-UHFFFAOYSA-N
XLogP1.86
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97156070
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 97119846
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 136727792
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 121495548
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide (CID 70734672) is N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide is CN(CCCC1CCCO1)C(=O)c1cnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is YVSRKSCMKUBAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-22(10-4-6-13-7-5-11-25-13)18(24)14-12-20-16(21-17(14)23)15-8-2-3-9-19-15/h2-3,8-9,12-13H,4-7,10-11H2,1H3,(H,20,21,23).
What are the key properties of N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70734672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).