N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide

C21H20N6O — CID 138587041

IUPACN-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ncc3ccc(-c4cncc(C#N)c4)cc3n2)CC1
InChIInChI=1S/C21H20N6O/c1-27-6-4-15(5-7-27)20(28)26-21-24-13-17-3-2-16(9-19(17)25-21)18-8-14(10-22)11-23-12-18/h2-3,8-9,11-13,15H,4-7H2,1H3,(H,24,25,26,28)
InChIKeyCTDWQTUXQURCKQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.84
Rot. Bonds3

About N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide

N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 138587041) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
PubChem CID138587041
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ncc3ccc(-c4cncc(C#N)c4)cc3n2)CC1
InChIInChI=1S/C21H20N6O/c1-27-6-4-15(5-7-27)20(28)26-21-24-13-17-3-2-16(9-19(17)25-21)18-8-14(10-22)11-23-12-18/h2-3,8-9,11-13,15H,4-7H2,1H3,(H,24,25,26,28)
InChIKeyCTDWQTUXQURCKQ-UHFFFAOYSA-N
XLogP2.84
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide (CID 138587041) is N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2ncc3ccc(-c4cncc(C#N)c4)cc3n2)CC1.
What is the InChIKey of N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is CTDWQTUXQURCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-27-6-4-15(5-7-27)20(28)26-21-24-13-17-3-2-16(9-19(17)25-21)18-8-14(10-22)11-23-12-18/h2-3,8-9,11-13,15H,4-7H2,1H3,(H,24,25,26,28).
What are the key properties of N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide?
N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 138587041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).