N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide

C19H25N3O — CID 119553089

IUPACN,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
SMILESCc1cccc(-n2c(C)cc(C(=O)N(C)C3CCNC3)c2C)c1
InChIInChI=1S/C19H25N3O/c1-13-6-5-7-16(10-13)22-14(2)11-18(15(22)3)19(23)21(4)17-8-9-20-12-17/h5-7,10-11,17,20H,8-9,12H2,1-4H3
InChIKeyZRLWIQKONXCPBR-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.84
Rot. Bonds3

About N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide

N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide (PubChem CID 119553089) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
PubChem CID119553089
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
SMILESCc1cccc(-n2c(C)cc(C(=O)N(C)C3CCNC3)c2C)c1
InChIInChI=1S/C19H25N3O/c1-13-6-5-7-16(10-13)22-14(2)11-18(15(22)3)19(23)21(4)17-8-9-20-12-17/h5-7,10-11,17,20H,8-9,12H2,1-4H3
InChIKeyZRLWIQKONXCPBR-UHFFFAOYSA-N
XLogP2.84
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide (CID 119553089) is N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide is Cc1cccc(-n2c(C)cc(C(=O)N(C)C3CCNC3)c2C)c1.
What is the InChIKey of N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide?
The InChIKey is ZRLWIQKONXCPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-6-5-7-16(10-13)22-14(2)11-18(15(22)3)19(23)21(4)17-8-9-20-12-17/h5-7,10-11,17,20H,8-9,12H2,1-4H3.
What are the key properties of N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide?
N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 119553089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).