2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C18H21N3O3 — CID 51250549

IUPAC2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCC1CCCO1
InChIInChI=1S/C18H21N3O3/c1-23-16-9-3-2-8-15(16)21-17-14(7-4-10-19-17)18(22)20-12-13-6-5-11-24-13/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyPMPMZVQQYDBHNK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.74
Rot. Bonds6

About 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 51250549) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID51250549
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCC1CCCO1
InChIInChI=1S/C18H21N3O3/c1-23-16-9-3-2-8-15(16)21-17-14(7-4-10-19-17)18(22)20-12-13-6-5-11-24-13/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyPMPMZVQQYDBHNK-UHFFFAOYSA-N
XLogP2.74
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 44759391
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
1-(3-methoxy-2-pyridinyl)-3-(oxolan-2-ylmethyl)thiourea
CID 133172406
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 51250549) is 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PMPMZVQQYDBHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-16-9-3-2-8-15(16)21-17-14(7-4-10-19-17)18(22)20-12-13-6-5-11-24-13/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 51250549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).