5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid

C26H33N3O2 — CID 122641333

IUPAC5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCC/C(=C\c1ccccc1)C1CC1NC1CCC(NCc2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C26H33N3O2/c1-2-20(14-18-6-4-3-5-7-18)23-15-25(23)29-22-11-9-21(10-12-22)27-16-19-8-13-24(26(30)31)28-17-19/h3-8,13-14,17,21-23,25,27,29H,2,9-12,15-16H2,1H3,(H,30,31)/b20-14+
InChIKeySNOYCONUWVFWAU-XSFVSMFZSA-N
MW419.57 g/mol
LogP4.65
Rot. Bonds9

About 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 122641333) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID122641333
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCC/C(=C\c1ccccc1)C1CC1NC1CCC(NCc2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C26H33N3O2/c1-2-20(14-18-6-4-3-5-7-18)23-15-25(23)29-22-11-9-21(10-12-22)27-16-19-8-13-24(26(30)31)28-17-19/h3-8,13-14,17,21-23,25,27,29H,2,9-12,15-16H2,1H3,(H,30,31)/b20-14+
InChIKeySNOYCONUWVFWAU-XSFVSMFZSA-N
XLogP4.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-[[[3-[[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]methyl]cyclobutyl]amino]methyl]pyridine-2-carboxylic acid;dihydrochloride
CID 138677720
2-[[[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]benzoic acid;dihydrochloride
CID 122641273
2-[4-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyrazol-1-yl]acetic acid;dihydrochloride
CID 122641223
1-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 122641119
5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]methyl]pyridine-2-carboxylic acid;dihydrochloride
CID 122641315
2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]-N-propan-2-ylacetamide
CID 134468982
(4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
CID 134481119
1-(2,2-difluoroethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine
CID 138711461
1-[2-(cyclopropylsulfanylamino)ethyl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine
CID 134469090
3-fluoro-4-[[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 138711276
5-[(cyclopentylamino)methyl]pyridine-2-carboxamide
CID 115685055
1-[2-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-one
CID 157268330

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid (CID 122641333) is 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid is CC/C(=C\c1ccccc1)C1CC1NC1CCC(NCc2ccc(C(=O)O)nc2)CC1.
What is the InChIKey of 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is SNOYCONUWVFWAU-XSFVSMFZSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-2-20(14-18-6-4-3-5-7-18)23-15-25(23)29-22-11-9-21(10-12-22)27-16-19-8-13-24(26(30)31)28-17-19/h3-8,13-14,17,21-23,25,27,29H,2,9-12,15-16H2,1H3,(H,30,31)/b20-14+.
What are the key properties of 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 419.57 g/mol, XLogP of 4.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122641333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).