N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide

C19H21N3O — CID 141162334

IUPACN-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide
SMILESCn1c(C#N)ccc1-c1ccc(N(C=O)C2CCCCC2)cc1
InChIInChI=1S/C19H21N3O/c1-21-18(13-20)11-12-19(21)15-7-9-17(10-8-15)22(14-23)16-5-3-2-4-6-16/h7-12,14,16H,2-6H2,1H3
InChIKeyQJXLGFHQHBFVAK-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.86
Rot. Bonds4

About N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide

N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide (PubChem CID 141162334) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide.

Molecular Properties

Compound NameN-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide
PubChem CID141162334
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide
SMILESCn1c(C#N)ccc1-c1ccc(N(C=O)C2CCCCC2)cc1
InChIInChI=1S/C19H21N3O/c1-21-18(13-20)11-12-19(21)15-7-9-17(10-8-15)22(14-23)16-5-3-2-4-6-16/h7-12,14,16H,2-6H2,1H3
InChIKeyQJXLGFHQHBFVAK-UHFFFAOYSA-N
XLogP3.86
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-N-cyclohexylformamide
CID 87623148
4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide
CID 24896574
N-cyclopropyl-N-phenylformamide
CID 87498563
N-tert-butyl-4-(5-cyano-1-methylpyrrol-2-yl)benzenesulfonamide
CID 25005983
5-[4-(C-tert-butyl-N-hydroxycarbonimidoyl)phenyl]-1-methylpyrrole-2-carbonitrile
CID 75254568
N-cyclohexyl-4-methyl-N-phenylaniline
CID 58662978
5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile
CID 15604500
N-cyclohexyl-N-[2-(methylamino)phenyl]formamide
CID 155248565
5-(2,6-difluorophenyl)-1-methylpyrrole-2-carbonitrile
CID 90718539
4-[cyclohexyl(methyl)amino]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 175993662
N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline
CID 89467899
N-cyclopropyl-N-pyridin-3-ylformamide
CID 174048868

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide?
The IUPAC name of N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide (CID 141162334) is N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide.
What is the SMILES notation for N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide?
The canonical SMILES for N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide is Cn1c(C#N)ccc1-c1ccc(N(C=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide?
The InChIKey is QJXLGFHQHBFVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-21-18(13-20)11-12-19(21)15-7-9-17(10-8-15)22(14-23)16-5-3-2-4-6-16/h7-12,14,16H,2-6H2,1H3.
What are the key properties of N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide?
N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide has a molecular weight of 307.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide is sourced from PubChem (CID 141162334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).