4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide

C19H16N4O2 — CID 75424808

IUPAC4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)Nc1cccc(OCc2ccncc2)c1
InChIInChI=1S/C19H16N4O2/c1-23-12-15(11-20)9-18(23)19(24)22-16-3-2-4-17(10-16)25-13-14-5-7-21-8-6-14/h2-10,12H,13H2,1H3,(H,22,24)
InChIKeyCRAJUTQBSWBBFD-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.12
Rot. Bonds5

About 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide

4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide (PubChem CID 75424808) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide
PubChem CID75424808
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)Nc1cccc(OCc2ccncc2)c1
InChIInChI=1S/C19H16N4O2/c1-23-12-15(11-20)9-18(23)19(24)22-16-3-2-4-17(10-16)25-13-14-5-7-21-8-6-14/h2-10,12H,13H2,1H3,(H,22,24)
InChIKeyCRAJUTQBSWBBFD-UHFFFAOYSA-N
XLogP3.12
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[3-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 111928560
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
N-[3-(cyanomethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 62298914
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
3-methyl-N-[4-(pyridin-4-ylmethoxy)phenyl]triazole-4-carboxamide
CID 136539914
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
CID 55962072
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
4-bromo-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
CID 60512198

Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide (CID 75424808) is 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide is Cn1cc(C#N)cc1C(=O)Nc1cccc(OCc2ccncc2)c1.
What is the InChIKey of 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide?
The InChIKey is CRAJUTQBSWBBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-12-15(11-20)9-18(23)19(24)22-16-3-2-4-17(10-16)25-13-14-5-7-21-8-6-14/h2-10,12H,13H2,1H3,(H,22,24).
What are the key properties of 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide?
4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 75424808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).