N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide

C20H18N4O — CID 56731433

IUPACN-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCc2nc(-c3ccccc3)ncc21)c1ccncc1
InChIInChI=1S/C20H18N4O/c25-20(15-9-11-21-12-10-15)24-18-8-4-7-17-16(18)13-22-19(23-17)14-5-2-1-3-6-14/h1-3,5-6,9-13,18H,4,7-8H2,(H,24,25)
InChIKeyIGCFTBQVIMGKOF-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.35
Rot. Bonds3

About N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide

N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide (PubChem CID 56731433) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
PubChem CID56731433
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCc2nc(-c3ccccc3)ncc21)c1ccncc1
InChIInChI=1S/C20H18N4O/c25-20(15-9-11-21-12-10-15)24-18-8-4-7-17-16(18)13-22-19(23-17)14-5-2-1-3-6-14/h1-3,5-6,9-13,18H,4,7-8H2,(H,24,25)
InChIKeyIGCFTBQVIMGKOF-UHFFFAOYSA-N
XLogP3.35
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide (CID 56731433) is N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide is O=C(NC1CCCc2nc(-c3ccccc3)ncc21)c1ccncc1.
What is the InChIKey of N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide?
The InChIKey is IGCFTBQVIMGKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20(15-9-11-21-12-10-15)24-18-8-4-7-17-16(18)13-22-19(23-17)14-5-2-1-3-6-14/h1-3,5-6,9-13,18H,4,7-8H2,(H,24,25).
What are the key properties of N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide?
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 56731433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).