4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide

C25H32N6O — CID 127046677

About 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide

4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide (PubChem CID 127046677) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
• PubChem CID: 127046677
• Molecular Formula: C25H32N6O
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.26
• IUPAC Name: 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide
• SMILES: Cc1cccc(NC(=O)C2(N(C)C)CCN(c3ncnc4[nH]c5c(c34)CCCC5)CC2)c1
• InChI: InChI=1S/C25H32N6O/c1-17-7-6-8-18(15-17)28-24(32)25(30(2)3)11-13-31(14-12-25)23-21-19-9-4-5-10-20(19)29-22(21)26-16-27-23/h6-8,15-16H,4-5,9-14H2,1-3H3,(H,28,32)(H,26,27,29)
• InChIKey: YCGVEGHRSHKVFO-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 77.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?

The IUPAC name of 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide (CID 127046677) is 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide.

What is the SMILES notation for 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?

The canonical SMILES for 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2(N(C)C)CCN(c3ncnc4[nH]c5c(c34)CCCC5)CC2)c1.

What is the InChIKey of 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?

The InChIKey is YCGVEGHRSHKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-17-7-6-8-18(15-17)28-24(32)25(30(2)3)11-13-31(14-12-25)23-21-19-9-4-5-10-20(19)29-22(21)26-16-27-23/h6-8,15-16H,4-5,9-14H2,1-3H3,(H,28,32)(H,26,27,29).

What are the key properties of 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide?

4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-(3-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 127046677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).