N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide

C30H32FN7O3 — CID 3190175

IUPACN-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide
SMILESCOc1cccc(CN(C(=O)Cn2nnc(-c3ccccc3F)n2)C(C(=O)NC2CCCCC2)c2ccncc2)c1
InChIInChI=1S/C30H32FN7O3/c1-41-24-11-7-8-21(18-24)19-37(27(39)20-38-35-29(34-36-38)25-12-5-6-13-26(25)31)28(22-14-16-32-17-15-22)30(40)33-23-9-3-2-4-10-23/h5-8,11-18,23,28H,2-4,9-10,19-20H2,1H3,(H,33,40)
InChIKeyRPIGSKWRSWMHMC-UHFFFAOYSA-N
MW557.63 g/mol
LogP4.10
Rot. Bonds10

About N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide

N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide (PubChem CID 3190175) has the molecular formula C30H32FN7O3 and a molecular weight of 557.63 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide
PubChem CID3190175
Molecular FormulaC30H32FN7O3
Molecular Weight557.63 g/mol
Exact Mass557.26
IUPAC NameN-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide
SMILESCOc1cccc(CN(C(=O)Cn2nnc(-c3ccccc3F)n2)C(C(=O)NC2CCCCC2)c2ccncc2)c1
InChIInChI=1S/C30H32FN7O3/c1-41-24-11-7-8-21(18-24)19-37(27(39)20-38-35-29(34-36-38)25-12-5-6-13-26(25)31)28(22-14-16-32-17-15-22)30(40)33-23-9-3-2-4-10-23/h5-8,11-18,23,28H,2-4,9-10,19-20H2,1H3,(H,33,40)
InChIKeyRPIGSKWRSWMHMC-UHFFFAOYSA-N
XLogP4.10
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.63
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
CID 98088446
(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 40624528
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3745052
(2S)-N-cyclopentyl-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 40589603
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 1167208
(2S)-N-cyclohexyl-2-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
CID 1142917
N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3761738
(2R)-N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
CID 98088556
2-[(2-chloroacetyl)-[(3-methoxyphenyl)methyl]amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441708
2-[(1-benzylpiperidin-4-yl)-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3262529
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(4-fluorophenyl)acetamide
CID 98088238
(2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(4-fluorophenyl)acetamide
CID 98088240

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide (CID 3190175) is N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide is COc1cccc(CN(C(=O)Cn2nnc(-c3ccccc3F)n2)C(C(=O)NC2CCCCC2)c2ccncc2)c1.
What is the InChIKey of N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide?
The InChIKey is RPIGSKWRSWMHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O3/c1-41-24-11-7-8-21(18-24)19-37(27(39)20-38-35-29(34-36-38)25-12-5-6-13-26(25)31)28(22-14-16-32-17-15-22)30(40)33-23-9-3-2-4-10-23/h5-8,11-18,23,28H,2-4,9-10,19-20H2,1H3,(H,33,40).
What are the key properties of N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide?
N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide has a molecular weight of 557.63 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3190175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).