2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide

C20H28N4O2 — CID 86809308

IUPAC2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide
SMILESO=C(NCc1ccccn1)C1C2CCC(C2)N1C(=O)NC1CCCCC1
InChIInChI=1S/C20H28N4O2/c25-19(22-13-16-8-4-5-11-21-16)18-14-9-10-17(12-14)24(18)20(26)23-15-6-2-1-3-7-15/h4-5,8,11,14-15,17-18H,1-3,6-7,9-10,12-13H2,(H,22,25)(H,23,26)
InChIKeyNSDYZNVUBRROQH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.59
Rot. Bonds4

About 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide

2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide (PubChem CID 86809308) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide
PubChem CID86809308
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide
SMILESO=C(NCc1ccccn1)C1C2CCC(C2)N1C(=O)NC1CCCCC1
InChIInChI=1S/C20H28N4O2/c25-19(22-13-16-8-4-5-11-21-16)18-14-9-10-17(12-14)24(18)20(26)23-15-6-2-1-3-7-15/h4-5,8,11,14-15,17-18H,1-3,6-7,9-10,12-13H2,(H,22,25)(H,23,26)
InChIKeyNSDYZNVUBRROQH-UHFFFAOYSA-N
XLogP2.59
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide with MolForge

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Related Compounds

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CID 113004461
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CID 2844203
6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide
CID 155880870
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
(2S,3aS,7aR)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 124734521
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
CID 19686556
(2R,3S)-3-(pyridin-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635560
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
CID 6949299
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide (CID 86809308) is 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide is O=C(NCc1ccccn1)C1C2CCC(C2)N1C(=O)NC1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide?
The InChIKey is NSDYZNVUBRROQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19(22-13-16-8-4-5-11-21-16)18-14-9-10-17(12-14)24(18)20(26)23-15-6-2-1-3-7-15/h4-5,8,11,14-15,17-18H,1-3,6-7,9-10,12-13H2,(H,22,25)(H,23,26).
What are the key properties of 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide?
2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-3-N-(pyridin-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide is sourced from PubChem (CID 86809308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).