4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide

C27H30ClN5O3 — CID 135174485

About 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide

4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide (PubChem CID 135174485) has the molecular formula C27H30ClN5O3 and a molecular weight of 508.02 g/mol. Its IUPAC name is 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide
• PubChem CID: 135174485
• Molecular Formula: C27H30ClN5O3
• Molecular Weight: 508.02 g/mol
• Exact Mass: 507.20
• IUPAC Name: 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide
• SMILES: COc1ccc(OC2CCN(c3nc(C(=O)NC4CCCc5ccccc54)nc(Cl)c3C)CC2)cn1
• InChI: InChI=1S/C27H30ClN5O3/c1-17-24(28)31-25(27(34)30-22-9-5-7-18-6-3-4-8-21(18)22)32-26(17)33-14-12-19(13-15-33)36-20-10-11-23(35-2)29-16-20/h3-4,6,8,10-11,16,19,22H,5,7,9,12-15H2,1-2H3,(H,30,34)
• InChIKey: LCBWEBIOWDTCDX-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.02
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide?

The IUPAC name of 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide (CID 135174485) is 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide.

What is the SMILES notation for 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide?

The canonical SMILES for 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide is COc1ccc(OC2CCN(c3nc(C(=O)NC4CCCc5ccccc54)nc(Cl)c3C)CC2)cn1.

What is the InChIKey of 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide?

The InChIKey is LCBWEBIOWDTCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O3/c1-17-24(28)31-25(27(34)30-22-9-5-7-18-6-3-4-8-21(18)22)32-26(17)33-14-12-19(13-15-33)36-20-10-11-23(35-2)29-16-20/h3-4,6,8,10-11,16,19,22H,5,7,9,12-15H2,1-2H3,(H,30,34).

What are the key properties of 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide?

4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide has a molecular weight of 508.02 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 135174485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).