4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide

C20H21N3O3 — CID 122447901

IUPAC4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
SMILESC=C1C(O)=C(C(=O)NCc2cccc(-c3cccnc3OC)c2)CN1C
InChIInChI=1S/C20H21N3O3/c1-13-18(24)17(12-23(13)2)19(25)22-11-14-6-4-7-15(10-14)16-8-5-9-21-20(16)26-3/h4-10,24H,1,11-12H2,2-3H3,(H,22,25)
InChIKeyBPNJFAMNLDRGIU-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.64
Rot. Bonds5

About 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide

4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide (PubChem CID 122447901) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
PubChem CID122447901
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
SMILESC=C1C(O)=C(C(=O)NCc2cccc(-c3cccnc3OC)c2)CN1C
InChIInChI=1S/C20H21N3O3/c1-13-18(24)17(12-23(13)2)19(25)22-11-14-6-4-7-15(10-14)16-8-5-9-21-20(16)26-3/h4-10,24H,1,11-12H2,2-3H3,(H,22,25)
InChIKeyBPNJFAMNLDRGIU-UHFFFAOYSA-N
XLogP2.64
TPSA74.69 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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90336602
4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90330697
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one
CID 122447898
3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
CID 110122033
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 110122116
3-[3-(acetamidomethyl)phenyl]-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 110121992
tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
CID 169003461
1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine
CID 167816225
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 110122025

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide (CID 122447901) is 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide is C=C1C(O)=C(C(=O)NCc2cccc(-c3cccnc3OC)c2)CN1C.
What is the InChIKey of 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
The InChIKey is BPNJFAMNLDRGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-18(24)17(12-23(13)2)19(25)22-11-14-6-4-7-15(10-14)16-8-5-9-21-20(16)26-3/h4-10,24H,1,11-12H2,2-3H3,(H,22,25).
What are the key properties of 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide?
4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 122447901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).