2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C18H21N3O3 — CID 44759391

IUPAC2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H21N3O3/c1-23-14-8-6-13(7-9-14)21-17-16(5-2-10-19-17)18(22)20-12-15-4-3-11-24-15/h2,5-10,15H,3-4,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyFHWZYQXCXWVDQD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.74
Rot. Bonds6

About 2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 44759391) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID44759391
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H21N3O3/c1-23-14-8-6-13(7-9-14)21-17-16(5-2-10-19-17)18(22)20-12-15-4-3-11-24-15/h2,5-10,15H,3-4,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyFHWZYQXCXWVDQD-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-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
N-(oxolan-2-ylmethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109300990
2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 92584070
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
N-[(3-methoxyphenyl)methyl]-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92761216
1-(3-methoxy-2-pyridinyl)-3-(oxolan-2-ylmethyl)thiourea
CID 133172406

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 44759391) is 2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is FHWZYQXCXWVDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-14-8-6-13(7-9-14)21-17-16(5-2-10-19-17)18(22)20-12-15-4-3-11-24-15/h2,5-10,15H,3-4,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
2-(4-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-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 44759391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).