N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C21H25F2N5O — CID 7283435

About N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 7283435) has the molecular formula C21H25F2N5O and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 7283435
• Molecular Formula: C21H25F2N5O
• Molecular Weight: 401.46 g/mol
• Exact Mass: 401.20
• IUPAC Name: N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1ccc(F)c(F)c1)CC2
• InChI: InChI=1S/C21H25F2N5O/c1-13-5-8-27(9-6-13)20-16-12-28(10-7-19(16)24-14(2)25-20)21(29)26-15-3-4-17(22)18(23)11-15/h3-4,11,13H,5-10,12H2,1-2H3,(H,26,29)
• InChIKey: TZQKTWGVSYUFKT-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.46
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 7283435) is N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1ccc(F)c(F)c1)CC2.

What is the InChIKey of N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The InChIKey is TZQKTWGVSYUFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5O/c1-13-5-8-27(9-6-13)20-16-12-28(10-7-19(16)24-14(2)25-20)21(29)26-15-3-4-17(22)18(23)11-15/h3-4,11,13H,5-10,12H2,1-2H3,(H,26,29).

What are the key properties of N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 7283435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).