3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide

C23H28N4O3 — CID 70796022

IUPAC3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1ncccc1OC[C@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H28N4O3/c28-22(26-20-12-4-5-13-24-20)21-19(11-6-14-25-21)30-16-18-10-7-15-27(18)23(29)17-8-2-1-3-9-17/h4-6,11-14,17-18H,1-3,7-10,15-16H2,(H,24,26,28)/t18-/m1/s1
InChIKeyQVSDXEMMOZDOAO-GOSISDBHSA-N
MW408.50 g/mol
LogP3.68
Rot. Bonds6

About 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide

3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 70796022) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID70796022
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1ncccc1OC[C@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C23H28N4O3/c28-22(26-20-12-4-5-13-24-20)21-19(11-6-14-25-21)30-16-18-10-7-15-27(18)23(29)17-8-2-1-3-9-17/h4-6,11-14,17-18H,1-3,7-10,15-16H2,(H,24,26,28)/t18-/m1/s1
InChIKeyQVSDXEMMOZDOAO-GOSISDBHSA-N
XLogP3.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide (CID 70796022) is 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide is O=C(Nc1ccccn1)c1ncccc1OC[C@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is QVSDXEMMOZDOAO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-22(26-20-12-4-5-13-24-20)21-19(11-6-14-25-21)30-16-18-10-7-15-27(18)23(29)17-8-2-1-3-9-17/h4-6,11-14,17-18H,1-3,7-10,15-16H2,(H,24,26,28)/t18-/m1/s1.
What are the key properties of 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide?
3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 70796022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).