N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

C20H19ClN6O — CID 91952762

IUPACN-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C20H19ClN6O/c1-12-3-5-16(21)18-15(13(2)26-19(12)18)7-8-22-20(28)14-4-6-17(23-9-14)27-10-24-25-11-27/h3-6,9-11,26H,7-8H2,1-2H3,(H,22,28)
InChIKeyIEKVMMHXUKMUIN-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 91952762) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
PubChem CID91952762
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC NameN-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C20H19ClN6O/c1-12-3-5-16(21)18-15(13(2)26-19(12)18)7-8-22-20(28)14-4-6-17(23-9-14)27-10-24-25-11-27/h3-6,9-11,26H,7-8H2,1-2H3,(H,22,28)
InChIKeyIEKVMMHXUKMUIN-UHFFFAOYSA-N
XLogP3.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 39854536
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949862
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 39854653
N-[3-oxo-3-(propan-2-ylamino)propyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952808
2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
CID 6983621
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 83868286
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74230830
N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4-pyrimidin-2-ylbenzamide
CID 25142027
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
N-phenyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 16764606
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126828084

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 91952762) is N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is Cc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1ccc(-n2cnnc2)nc1.
What is the InChIKey of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is IEKVMMHXUKMUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-12-3-5-16(21)18-15(13(2)26-19(12)18)7-8-22-20(28)14-4-6-17(23-9-14)27-10-24-25-11-27/h3-6,9-11,26H,7-8H2,1-2H3,(H,22,28).
What are the key properties of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 394.87 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 91952762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).