N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

C20H21N3O3 — CID 60508930

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1O
InChIInChI=1S/C20H21N3O3/c1-13-10-16(14(2)23(13)19-6-4-5-9-21-19)20(25)22-12-15-7-8-17(24)18(11-15)26-3/h4-11,24H,12H2,1-3H3,(H,22,25)
InChIKeyLTNDVOJYQZWBBB-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.13
Rot. Bonds5

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 60508930) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID60508930
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1O
InChIInChI=1S/C20H21N3O3/c1-13-10-16(14(2)23(13)19-6-4-5-9-21-19)20(25)22-12-15-7-8-17(24)18(11-15)26-3/h4-11,24H,12H2,1-3H3,(H,22,25)
InChIKeyLTNDVOJYQZWBBB-UHFFFAOYSA-N
XLogP3.13
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[[(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]methyl]phenyl]carbamate
CID 55846828
N-[[3-(diethylaminomethyl)phenyl]methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55855567
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
CID 18372541
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119996973
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634896
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120654138
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 111119746
N-[3-(2-methoxyethoxy)phenyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55959337
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634814
N-[(2S)-1-aminopropan-2-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120509004
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (CID 60508930) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is COc1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is LTNDVOJYQZWBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-10-16(14(2)23(13)19-6-4-5-9-21-19)20(25)22-12-15-7-8-17(24)18(11-15)26-3/h4-11,24H,12H2,1-3H3,(H,22,25).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 60508930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).