N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide

C29H36N6O3 — CID 59703491

About N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide

N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide (PubChem CID 59703491) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide
• PubChem CID: 59703491
• Molecular Formula: C29H36N6O3
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.28
• IUPAC Name: N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide
• SMILES: C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(CN(C)C(=O)C4CC4)c3)nc2n1
• InChI: InChI=1S/C29H36N6O3/c1-19-17-37-13-11-34(19)27-24-9-10-25(30-26(24)31-29(32-27)35-12-14-38-18-20(35)2)23-6-4-5-21(15-23)16-33(3)28(36)22-7-8-22/h4-6,9-10,15,19-20,22H,7-8,11-14,16-18H2,1-3H3/t19-,20-/m0/s1
• InChIKey: ZTBKMKDXKQWOII-PMACEKPBSA-N
• XLogP: 3.51
• TPSA: 83.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide?

The IUPAC name of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide (CID 59703491) is N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide.

What is the SMILES notation for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide?

The canonical SMILES for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(CN(C)C(=O)C4CC4)c3)nc2n1.

What is the InChIKey of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide?

The InChIKey is ZTBKMKDXKQWOII-PMACEKPBSA-N. The full InChI is InChI=1S/C29H36N6O3/c1-19-17-37-13-11-34(19)27-24-9-10-25(30-26(24)31-29(32-27)35-12-14-38-18-20(35)2)23-6-4-5-21(15-23)16-33(3)28(36)22-7-8-22/h4-6,9-10,15,19-20,22H,7-8,11-14,16-18H2,1-3H3/t19-,20-/m0/s1.

What are the key properties of N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide?

N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide has a molecular weight of 516.65 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 59703491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).