N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide

C21H25N7O — CID 71911502

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESCN(Cc1nnc(C2CC2)n1C)C(=O)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C21H25N7O/c1-26(12-18-24-25-19(27(18)2)14-9-10-14)21(29)17-8-5-11-28(17)20-15-6-3-4-7-16(15)22-13-23-20/h3-4,6-7,13-14,17H,5,8-12H2,1-2H3
InChIKeyFWFUJQYAYCDFAP-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.26
Rot. Bonds5

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide (PubChem CID 71911502) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
PubChem CID71911502
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESCN(Cc1nnc(C2CC2)n1C)C(=O)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C21H25N7O/c1-26(12-18-24-25-19(27(18)2)14-9-10-14)21(29)17-8-5-11-28(17)20-15-6-3-4-7-16(15)22-13-23-20/h3-4,6-7,13-14,17H,5,8-12H2,1-2H3
InChIKeyFWFUJQYAYCDFAP-UHFFFAOYSA-N
XLogP2.26
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide (CID 71911502) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide is CN(Cc1nnc(C2CC2)n1C)C(=O)C1CCCN1c1ncnc2ccccc12.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is FWFUJQYAYCDFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-26(12-18-24-25-19(27(18)2)14-9-10-14)21(29)17-8-5-11-28(17)20-15-6-3-4-7-16(15)22-13-23-20/h3-4,6-7,13-14,17H,5,8-12H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71911502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).