1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

C22H27ClN4O2 — CID 67508182

IUPAC1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)ncc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-15-4-2-8-24-21(15)18-12-20(25-14-19(18)23)27-9-6-16(7-10-27)22(28)26-13-17-5-3-11-29-17/h2,4,8,12,14,16-17H,3,5-7,9-11,13H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyBZNDFZAVUBXGOV-QGZVFWFLSA-N
MW414.94 g/mol
LogP3.62
Rot. Bonds5

About 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 67508182) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID67508182
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)ncc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-15-4-2-8-24-21(15)18-12-20(25-14-19(18)23)27-9-6-16(7-10-27)22(28)26-13-17-5-3-11-29-17/h2,4,8,12,14,16-17H,3,5-7,9-11,13H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyBZNDFZAVUBXGOV-QGZVFWFLSA-N
XLogP3.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 67508182) is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is Cc1cccnc1-c1cc(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BZNDFZAVUBXGOV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-15-4-2-8-24-21(15)18-12-20(25-14-19(18)23)27-9-6-16(7-10-27)22(28)26-13-17-5-3-11-29-17/h2,4,8,12,14,16-17H,3,5-7,9-11,13H2,1H3,(H,26,28)/t17-/m1/s1.
What are the key properties of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 67508182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).