3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide

C22H30N4O — CID 42748419

IUPAC3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c(C#N)ccn1-c1ccc(C)cc1
InChIInChI=1S/C22H30N4O/c1-5-25(6-2)14-7-8-18(4)24-22(27)21-19(16-23)13-15-26(21)20-11-9-17(3)10-12-20/h9-13,15,18H,5-8,14H2,1-4H3,(H,24,27)
InChIKeyMBWWHGYEKLLHIG-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.90
Rot. Bonds9

About 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide

3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide (PubChem CID 42748419) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide
PubChem CID42748419
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c(C#N)ccn1-c1ccc(C)cc1
InChIInChI=1S/C22H30N4O/c1-5-25(6-2)14-7-8-18(4)24-22(27)21-19(16-23)13-15-26(21)20-11-9-17(3)10-12-20/h9-13,15,18H,5-8,14H2,1-4H3,(H,24,27)
InChIKeyMBWWHGYEKLLHIG-UHFFFAOYSA-N
XLogP3.90
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748349
4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 24708648
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 4535202
N-[5-(diethylamino)pentan-2-yl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6411699
6-amino-N-[5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 62153221
6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
3-cyano-N-hexyl-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748353
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzonitrile
CID 43179853
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
ethyl 1-[3-cyano-1-(4-methylphenyl)pyrrole-2-carbonyl]piperidine-3-carboxylate
CID 3915396
N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755258

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide (CID 42748419) is 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide is CCN(CC)CCCC(C)NC(=O)c1c(C#N)ccn1-c1ccc(C)cc1.
What is the InChIKey of 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is MBWWHGYEKLLHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-25(6-2)14-7-8-18(4)24-22(27)21-19(16-23)13-15-26(21)20-11-9-17(3)10-12-20/h9-13,15,18H,5-8,14H2,1-4H3,(H,24,27).
What are the key properties of 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide?
3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(4-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42748419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).