(3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

C24H27Cl2N5O2 — CID 90413200

About (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90413200) has the molecular formula C24H27Cl2N5O2 and a molecular weight of 488.42 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 90413200
• Molecular Formula: C24H27Cl2N5O2
• Molecular Weight: 488.42 g/mol
• Exact Mass: 487.15
• IUPAC Name: (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: O=C(Nc1cc(-c2cc3c(cc2Cl)ncn3CC2CCOCC2)c(Cl)cn1)[C@@H]1CCCNC1
• InChI: InChI=1S/C24H27Cl2N5O2/c25-19-10-21-22(31(14-29-21)13-15-3-6-33-7-4-15)8-17(19)18-9-23(28-12-20(18)26)30-24(32)16-2-1-5-27-11-16/h8-10,12,14-16,27H,1-7,11,13H2,(H,28,30,32)/t16-/m1/s1
• InChIKey: QNIIEOJDSNQNCM-MRXNPFEDSA-N
• XLogP: 4.77
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.42
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90413200) is (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cc3c(cc2Cl)ncn3CC2CCOCC2)c(Cl)cn1)[C@@H]1CCCNC1.

What is the InChIKey of (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is QNIIEOJDSNQNCM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27Cl2N5O2/c25-19-10-21-22(31(14-29-21)13-15-3-6-33-7-4-15)8-17(19)18-9-23(28-12-20(18)26)30-24(32)16-2-1-5-27-11-16/h8-10,12,14-16,27H,1-7,11,13H2,(H,28,30,32)/t16-/m1/s1.

What are the key properties of (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?

(3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 488.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90413200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).