N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide

C32H29N5O — CID 68944022

About N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide

N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 68944022) has the molecular formula C32H29N5O and a molecular weight of 499.62 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide
• PubChem CID: 68944022
• Molecular Formula: C32H29N5O
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.24
• IUPAC Name: N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide
• SMILES: O=C(c1ccccn1)N(Cc1cccc(-c2ccc3ncnc(NCCc4ccccc4)c3c2)c1)C1CC1
• InChI: InChI=1S/C32H29N5O/c38-32(30-11-4-5-17-33-30)37(27-13-14-27)21-24-9-6-10-25(19-24)26-12-15-29-28(20-26)31(36-22-35-29)34-18-16-23-7-2-1-3-8-23/h1-12,15,17,19-20,22,27H,13-14,16,18,21H2,(H,34,35,36)
• InChIKey: GOSCGZQYYYMPLM-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide?

The IUPAC name of N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide (CID 68944022) is N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide is O=C(c1ccccn1)N(Cc1cccc(-c2ccc3ncnc(NCCc4ccccc4)c3c2)c1)C1CC1.

What is the InChIKey of N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide?

The InChIKey is GOSCGZQYYYMPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O/c38-32(30-11-4-5-17-33-30)37(27-13-14-27)21-24-9-6-10-25(19-24)26-12-15-29-28(20-26)31(36-22-35-29)34-18-16-23-7-2-1-3-8-23/h1-12,15,17,19-20,22,27H,13-14,16,18,21H2,(H,34,35,36).

What are the key properties of N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide?

N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 68944022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).