N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide

C20H27N5O2 — CID 97152386

About N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide

N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide (PubChem CID 97152386) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 97152386
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide
• SMILES: CC(C)c1ccc(C(=O)N[C@H]2CCCc3nc(N(C)C)ncc32)c(=O)n1C
• InChI: InChI=1S/C20H27N5O2/c1-12(2)17-10-9-13(19(27)25(17)5)18(26)22-15-7-6-8-16-14(15)11-21-20(23-16)24(3)4/h9-12,15H,6-8H2,1-5H3,(H,22,26)/t15-/m0/s1
• InChIKey: OFOLSPVQODISMW-HNNXBMFYSA-N
• XLogP: 2.17
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide?

The IUPAC name of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide (CID 97152386) is N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccc(C(=O)N[C@H]2CCCc3nc(N(C)C)ncc32)c(=O)n1C.

What is the InChIKey of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide?

The InChIKey is OFOLSPVQODISMW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-12(2)17-10-9-13(19(27)25(17)5)18(26)22-15-7-6-8-16-14(15)11-21-20(23-16)24(3)4/h9-12,15H,6-8H2,1-5H3,(H,22,26)/t15-/m0/s1.

What are the key properties of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide?

N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 97152386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).