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

C18H22N4O3 — CID 97156070

IUPACN-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCN(CCC[C@H]1CCCO1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C18H22N4O3/c1-22(9-3-6-14-7-4-10-25-14)18(24)15-12-20-16(21-17(15)23)13-5-2-8-19-11-13/h2,5,8,11-12,14H,3-4,6-7,9-10H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyHEFPRLRTDCHUKN-AWEZNQCLSA-N
MW342.40 g/mol
LogP1.86
Rot. Bonds6

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

N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 97156070) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID97156070
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCN(CCC[C@H]1CCCO1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C18H22N4O3/c1-22(9-3-6-14-7-4-10-25-14)18(24)15-12-20-16(21-17(15)23)13-5-2-8-19-11-13/h2,5,8,11-12,14H,3-4,6-7,9-10H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyHEFPRLRTDCHUKN-AWEZNQCLSA-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

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

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Related Compounds

N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70734672
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72897581
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97146618
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72918666
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (CID 97156070) is N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is CN(CCC[C@H]1CCCO1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O.
What is the InChIKey of N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is HEFPRLRTDCHUKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-22(9-3-6-14-7-4-10-25-14)18(24)15-12-20-16(21-17(15)23)13-5-2-8-19-11-13/h2,5,8,11-12,14H,3-4,6-7,9-10H2,1H3,(H,20,21,23)/t14-/m0/s1.
What are the key properties of N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-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-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97156070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).