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

C22H30N4O — CID 42748349

IUPAC3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c(C#N)ccn1-c1cccc(C)c1
InChIInChI=1S/C22H30N4O/c1-5-25(6-2)13-8-10-18(4)24-22(27)21-19(16-23)12-14-26(21)20-11-7-9-17(3)15-20/h7,9,11-12,14-15,18H,5-6,8,10,13H2,1-4H3,(H,24,27)
InChIKeyUDWAQCVPBPPDGK-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.90
Rot. Bonds9

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

3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide (PubChem CID 42748349) 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-(3-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide
PubChem CID42748349
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1c(C#N)ccn1-c1cccc(C)c1
InChIInChI=1S/C22H30N4O/c1-5-25(6-2)13-8-10-18(4)24-22(27)21-19(16-23)12-14-26(21)20-11-7-9-17(3)15-20/h7,9,11-12,14-15,18H,5-6,8,10,13H2,1-4H3,(H,24,27)
InChIKeyUDWAQCVPBPPDGK-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-(4-methylphenyl)pyrrole-2-carboxamide
CID 42748419
3-cyano-N-hexyl-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748353
3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748352
4-cyano-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 24708648
N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7271222
1-(3-bromophenyl)-3-cyano-N-(3-methylbutyl)pyrrole-2-carboxamide
CID 5104581
N-[2-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111000099
N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
CID 3732088
3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 24715175
N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3603848
N-[5-(diethylamino)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 4535202
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzonitrile
CID 43179853

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide (CID 42748349) is 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide is CCN(CC)CCCC(C)NC(=O)c1c(C#N)ccn1-c1cccc(C)c1.
What is the InChIKey of 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is UDWAQCVPBPPDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-25(6-2)13-8-10-18(4)24-22(27)21-19(16-23)12-14-26(21)20-11-7-9-17(3)15-20/h7,9,11-12,14-15,18H,5-6,8,10,13H2,1-4H3,(H,24,27).
What are the key properties of 3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)pyrrole-2-carboxamide?
3-cyano-N-[5-(diethylamino)pentan-2-yl]-1-(3-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-(3-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42748349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).