4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile

C17H22N4 — CID 100770269

IUPAC4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile
SMILESCCN(CC)c1c(N)cc(C#N)n1Cc1ccccc1C
InChIInChI=1S/C17H22N4/c1-4-20(5-2)17-16(19)10-15(11-18)21(17)12-14-9-7-6-8-13(14)3/h6-10H,4-5,12,19H2,1-3H3
InChIKeyVCVSQGFDADRATQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.14
Rot. Bonds5

About 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile

4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile (PubChem CID 100770269) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile
PubChem CID100770269
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile
SMILESCCN(CC)c1c(N)cc(C#N)n1Cc1ccccc1C
InChIInChI=1S/C17H22N4/c1-4-20(5-2)17-16(19)10-15(11-18)21(17)12-14-9-7-6-8-13(14)3/h6-10H,4-5,12,19H2,1-3H3
InChIKeyVCVSQGFDADRATQ-UHFFFAOYSA-N
XLogP3.14
TPSA57.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile (CID 100770269) is 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile is CCN(CC)c1c(N)cc(C#N)n1Cc1ccccc1C.
What is the InChIKey of 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile?
The InChIKey is VCVSQGFDADRATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-20(5-2)17-16(19)10-15(11-18)21(17)12-14-9-7-6-8-13(14)3/h6-10H,4-5,12,19H2,1-3H3.
What are the key properties of 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile?
4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 100770269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).