2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide

C21H21N3O3 — CID 112809803

IUPAC2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ncccc2C(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-18-10-8-16(9-11-18)23-20-19(7-4-12-22-20)21(26)24-17-6-3-5-15(13-17)14-25/h3-13,25H,2,14H2,1H3,(H,22,23)(H,24,26)
InChIKeyIXGLPDGZURKWEG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.97
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide

2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide (PubChem CID 112809803) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
PubChem CID112809803
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ncccc2C(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-18-10-8-16(9-11-18)23-20-19(7-4-12-22-20)21(26)24-17-6-3-5-15(13-17)14-25/h3-13,25H,2,14H2,1H3,(H,22,23)(H,24,26)
InChIKeyIXGLPDGZURKWEG-UHFFFAOYSA-N
XLogP3.97
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
N-[3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 75435675
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 55993721
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 27783158
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
CID 119405364
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 51119906
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 24567636

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide (CID 112809803) is 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide is CCOc1ccc(Nc2ncccc2C(=O)Nc2cccc(CO)c2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is IXGLPDGZURKWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-27-18-10-8-16(9-11-18)23-20-19(7-4-12-22-20)21(26)24-17-6-3-5-15(13-17)14-25/h3-13,25H,2,14H2,1H3,(H,22,23)(H,24,26).
What are the key properties of 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide?
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 112809803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).