6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide

C16H17N3O3 — CID 118613141

IUPAC6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(O[C@H]2CCOC2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H17N3O3/c1-11-8-13(22-12-5-7-21-10-12)9-14(18-11)16(20)19-15-4-2-3-6-17-15/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,17,19,20)/t12-/m0/s1
InChIKeyNJMIGAFMRTXHKZ-LBPRGKRZSA-N
MW299.33 g/mol
LogP2.21
Rot. Bonds4

About 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide

6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 118613141) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID118613141
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(O[C@H]2CCOC2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H17N3O3/c1-11-8-13(22-12-5-7-21-10-12)9-14(18-11)16(20)19-15-4-2-3-6-17-15/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,17,19,20)/t12-/m0/s1
InChIKeyNJMIGAFMRTXHKZ-LBPRGKRZSA-N
XLogP2.21
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Auglurant
CID 60168069
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 60197822
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823
N-(6-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197825
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
N-(6-ethyl-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60198043
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyridine-2-carboxamide
CID 60198048

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide (CID 118613141) is 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide is Cc1cc(O[C@H]2CCOC2)cc(C(=O)Nc2ccccn2)n1.
What is the InChIKey of 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is NJMIGAFMRTXHKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-8-13(22-12-5-7-21-10-12)9-14(18-11)16(20)19-15-4-2-3-6-17-15/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,17,19,20)/t12-/m0/s1.
What are the key properties of 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide?
6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(3S)-oxolan-3-yl]oxy-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 118613141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).