5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide

C38H34Cl2N8O3 — CID 166344891

IUPAC5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide
SMILESO=C(NC1CC(C(=O)N2CCCCC2C(=O)Nc2ccc(Cl)cc2Cl)C1)c1cncc(-n2cc(Cn3c4ccccc4c4ccccc43)nn2)c1
InChIInChI=1S/C38H34Cl2N8O3/c39-25-12-13-32(31(40)18-25)43-37(50)35-11-5-6-14-46(35)38(51)23-15-26(16-23)42-36(49)24-17-28(20-41-19-24)48-22-27(44-45-48)21-47-33-9-3-1-7-29(33)30-8-2-4-10-34(30)47/h1-4,7-10,12-13,17-20,22-23,26,35H,5-6,11,14-16,21H2,(H,42,49)(H,43,50)
InChIKeySEEJQQPZUGERNB-UHFFFAOYSA-N
MW721.65 g/mol
LogP6.65
Rot. Bonds8

About 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide

5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide (PubChem CID 166344891) has the molecular formula C38H34Cl2N8O3 and a molecular weight of 721.65 g/mol. Its IUPAC name is 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide
PubChem CID166344891
Molecular FormulaC38H34Cl2N8O3
Molecular Weight721.65 g/mol
Exact Mass720.21
IUPAC Name5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide
SMILESO=C(NC1CC(C(=O)N2CCCCC2C(=O)Nc2ccc(Cl)cc2Cl)C1)c1cncc(-n2cc(Cn3c4ccccc4c4ccccc43)nn2)c1
InChIInChI=1S/C38H34Cl2N8O3/c39-25-12-13-32(31(40)18-25)43-37(50)35-11-5-6-14-46(35)38(51)23-15-26(16-23)42-36(49)24-17-28(20-41-19-24)48-22-27(44-45-48)21-47-33-9-3-1-7-29(33)30-8-2-4-10-34(30)47/h1-4,7-10,12-13,17-20,22-23,26,35H,5-6,11,14-16,21H2,(H,42,49)(H,43,50)
InChIKeySEEJQQPZUGERNB-UHFFFAOYSA-N
XLogP6.65
TPSA127.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.65
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[(4-bromo-5-fluoro-2-methylphenyl)methylcarbamoyl]cyclobutyl]-5-[4-(carbazol-9-ylmethyl)triazol-1-yl]pyridine-3-carboxamide
CID 167875687
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
CID 112830933
methyl 2-(3,4-dichlorophenyl)-2-[methyl-[3-[[5-[4-[(2-phenylindol-1-yl)methyl]triazol-1-yl]pyridine-3-carbonyl]amino]cyclobutanecarbonyl]amino]acetate
CID 166344531
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
N-[3-(1-azaspiro[4.5]decane-1-carbonyl)cyclobutyl]-5-[4-[(4-chlorophenyl)-hydroxymethyl]triazol-1-yl]pyridine-3-carboxamide
CID 166357458
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326

Frequently Asked Questions

What is the IUPAC name of 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide (CID 166344891) is 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide is O=C(NC1CC(C(=O)N2CCCCC2C(=O)Nc2ccc(Cl)cc2Cl)C1)c1cncc(-n2cc(Cn3c4ccccc4c4ccccc43)nn2)c1.
What is the InChIKey of 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide?
The InChIKey is SEEJQQPZUGERNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34Cl2N8O3/c39-25-12-13-32(31(40)18-25)43-37(50)35-11-5-6-14-46(35)38(51)23-15-26(16-23)42-36(49)24-17-28(20-41-19-24)48-22-27(44-45-48)21-47-33-9-3-1-7-29(33)30-8-2-4-10-34(30)47/h1-4,7-10,12-13,17-20,22-23,26,35H,5-6,11,14-16,21H2,(H,42,49)(H,43,50).
What are the key properties of 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide?
5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide has a molecular weight of 721.65 g/mol, XLogP of 6.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(carbazol-9-ylmethyl)triazol-1-yl]-N-[3-[2-[(2,4-dichlorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 166344891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).