4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid

C23H35N3O3S — CID 24946802

IUPAC4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCSc1nc(NCC2CCC(C(=O)O)CC2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H35N3O3S/c1-2-14-30-22-19(21(27)25-18-6-4-3-5-7-18)12-13-20(26-22)24-15-16-8-10-17(11-9-16)23(28)29/h12-13,16-18H,2-11,14-15H2,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyDXCCQDZRHQWJET-UHFFFAOYSA-N
MW433.62 g/mol
LogP4.95
Rot. Bonds9

About 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 24946802) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID24946802
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC Name4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCSc1nc(NCC2CCC(C(=O)O)CC2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H35N3O3S/c1-2-14-30-22-19(21(27)25-18-6-4-3-5-7-18)12-13-20(26-22)24-15-16-8-10-17(11-9-16)23(28)29/h12-13,16-18H,2-11,14-15H2,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyDXCCQDZRHQWJET-UHFFFAOYSA-N
XLogP4.95
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

Azd-4017
CID 24946280
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-[methyl(propyl)amino]-2-pyridinyl]piperidin-3-yl]acetic acid
CID 60165806
N-(5-hydroxy-2-adamantyl)-6-(methylamino)-2-propylsulfanylpyridine-3-carboxamide
CID 71449567
N-(5-hydroxy-2-adamantyl)-6-morpholin-4-yl-2-propylsulfanylpyridine-3-carboxamide
CID 71454920
2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]acetic acid
CID 24946103
1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidine-3-carboxylic acid
CID 24946104
1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidine-4-carboxylic acid
CID 24946105
2-[1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl]acetic acid
CID 24946106
4-[[5-(Cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 24946980
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylamino)-2-pyridinyl]piperidin-3-yl]acetic acid
CID 59830609
6-(dimethylamino)-N-(5-hydroxy-2-adamantyl)-2-propylsulfanylpyridine-3-carboxamide
CID 71449568
1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidine-2-carboxylic acid
CID 24946799

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 24946802) is 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is CCCSc1nc(NCC2CCC(C(=O)O)CC2)ccc1C(=O)NC1CCCCC1.
What is the InChIKey of 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DXCCQDZRHQWJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-2-14-30-22-19(21(27)25-18-6-4-3-5-7-18)12-13-20(26-22)24-15-16-8-10-17(11-9-16)23(28)29/h12-13,16-18H,2-11,14-15H2,1H3,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 433.62 g/mol, XLogP of 4.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 24946802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).