2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide

C21H25N3O3 — CID 118787231

IUPAC2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1cccc(-c2ncccc2C(N)=O)c1
InChIInChI=1S/C21H25N3O3/c1-24(12-4-8-17-9-5-13-27-17)21(26)16-7-2-6-15(14-16)19-18(20(22)25)10-3-11-23-19/h2-3,6-7,10-11,14,17H,4-5,8-9,12-13H2,1H3,(H2,22,25)
InChIKeyHPBVPPZBFVZGSZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.88
Rot. Bonds7

About 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide

2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 118787231) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID118787231
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1cccc(-c2ncccc2C(N)=O)c1
InChIInChI=1S/C21H25N3O3/c1-24(12-4-8-17-9-5-13-27-17)21(26)16-7-2-6-15(14-16)19-18(20(22)25)10-3-11-23-19/h2-3,6-7,10-11,14,17H,4-5,8-9,12-13H2,1H3,(H2,22,25)
InChIKeyHPBVPPZBFVZGSZ-UHFFFAOYSA-N
XLogP2.88
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
CID 126444243
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97156070
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
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
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide
CID 125166689
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 118787231) is 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide is CN(CCCC1CCCO1)C(=O)c1cccc(-c2ncccc2C(N)=O)c1.
What is the InChIKey of 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is HPBVPPZBFVZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-24(12-4-8-17-9-5-13-27-17)21(26)16-7-2-6-15(14-16)19-18(20(22)25)10-3-11-23-19/h2-3,6-7,10-11,14,17H,4-5,8-9,12-13H2,1H3,(H2,22,25).
What are the key properties of 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide?
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118787231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).