N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide

C30H33N7O2 — CID 3181617

IUPACN-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide
SMILESCc1cc(C)cc(N(C(=O)Cn2nnc(-c3ccccc3)n2)C(C(=O)NC2CCCCC2)c2ccccn2)c1
InChIInChI=1S/C30H33N7O2/c1-21-17-22(2)19-25(18-21)37(27(38)20-36-34-29(33-35-36)23-11-5-3-6-12-23)28(26-15-9-10-16-31-26)30(39)32-24-13-7-4-8-14-24/h3,5-6,9-12,15-19,24,28H,4,7-8,13-14,20H2,1-2H3,(H,32,39)
InChIKeyGOLFYGPVXFMJQA-UHFFFAOYSA-N
MW523.64 g/mol
LogP4.58
Rot. Bonds8

About N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide

N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide (PubChem CID 3181617) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide
PubChem CID3181617
Molecular FormulaC30H33N7O2
Molecular Weight523.64 g/mol
Exact Mass523.27
IUPAC NameN-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide
SMILESCc1cc(C)cc(N(C(=O)Cn2nnc(-c3ccccc3)n2)C(C(=O)NC2CCCCC2)c2ccccn2)c1
InChIInChI=1S/C30H33N7O2/c1-21-17-22(2)19-25(18-21)37(27(38)20-36-34-29(33-35-36)23-11-5-3-6-12-23)28(26-15-9-10-16-31-26)30(39)32-24-13-7-4-8-14-24/h3,5-6,9-12,15-19,24,28H,4,7-8,13-14,20H2,1-2H3,(H,32,39)
InChIKeyGOLFYGPVXFMJQA-UHFFFAOYSA-N
XLogP4.58
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclohexyl-2-(4-methoxy-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
CID 25309067
N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3761738
(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446231
N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3180504
N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide
CID 3688712
(2S)-N-cyclopentyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide
CID 40586663
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
N-cyclopentyl-2-(5-methylfuran-2-yl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 3180366
N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide
CID 23741250
(2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
CID 40665427
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide
CID 40592877
(2S)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methylanilino)butanamide
CID 1153766

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide (CID 3181617) is N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide is Cc1cc(C)cc(N(C(=O)Cn2nnc(-c3ccccc3)n2)C(C(=O)NC2CCCCC2)c2ccccn2)c1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide?
The InChIKey is GOLFYGPVXFMJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2/c1-21-17-22(2)19-25(18-21)37(27(38)20-36-34-29(33-35-36)23-11-5-3-6-12-23)28(26-15-9-10-16-31-26)30(39)32-24-13-7-4-8-14-24/h3,5-6,9-12,15-19,24,28H,4,7-8,13-14,20H2,1-2H3,(H,32,39).
What are the key properties of N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide?
N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide has a molecular weight of 523.64 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 3181617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).