N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide

C24H33N5O — CID 24911654

About N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 24911654) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide
• PubChem CID: 24911654
• Molecular Formula: C24H33N5O
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.27
• IUPAC Name: N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)Nc1ncccc1CN1CCc2nc(C3CCCCC3)ncc2C1
• InChI: InChI=1S/C24H33N5O/c1-24(2,3)23(30)28-22-18(10-7-12-25-22)15-29-13-11-20-19(16-29)14-26-21(27-20)17-8-5-4-6-9-17/h7,10,12,14,17H,4-6,8-9,11,13,15-16H2,1-3H3,(H,25,28,30)
• InChIKey: XZDXLPDPOLVUOB-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 24911654) is N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncccc1CN1CCc2nc(C3CCCCC3)ncc2C1.

What is the InChIKey of N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide?

The InChIKey is XZDXLPDPOLVUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-24(2,3)23(30)28-22-18(10-7-12-25-22)15-29-13-11-20-19(16-29)14-26-21(27-20)17-8-5-4-6-9-17/h7,10,12,14,17H,4-6,8-9,11,13,15-16H2,1-3H3,(H,25,28,30).

What are the key properties of N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide?

N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 407.56 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24911654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).