3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide

C22H23N5O2 — CID 89103345

IUPAC3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide
SMILESO=Nc1ccc(C(=O)NCc2ccccn2)cc1-n1ccnc1C1CCCCC1
InChIInChI=1S/C22H23N5O2/c28-22(25-15-18-8-4-5-11-23-18)17-9-10-19(26-29)20(14-17)27-13-12-24-21(27)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7,15H2,(H,25,28)
InChIKeySGNBTHSWMGLYDD-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.64
Rot. Bonds6

About 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide

3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 89103345) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide
PubChem CID89103345
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide
SMILESO=Nc1ccc(C(=O)NCc2ccccn2)cc1-n1ccnc1C1CCCCC1
InChIInChI=1S/C22H23N5O2/c28-22(25-15-18-8-4-5-11-23-18)17-9-10-19(26-29)20(14-17)27-13-12-24-21(27)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7,15H2,(H,25,28)
InChIKeySGNBTHSWMGLYDD-UHFFFAOYSA-N
XLogP4.64
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyclohexylimidazol-1-yl)-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 174578336
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
1-cyclopentyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 35762704
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 174578276
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
4-(azepan-1-yl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 15994983
4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 174503750
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
CID 71842437
4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109047547

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide (CID 89103345) is 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide is O=Nc1ccc(C(=O)NCc2ccccn2)cc1-n1ccnc1C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is SGNBTHSWMGLYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(25-15-18-8-4-5-11-23-18)17-9-10-19(26-29)20(14-17)27-13-12-24-21(27)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7,15H2,(H,25,28).
What are the key properties of 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide?
3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylimidazol-1-yl)-4-nitroso-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 89103345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).