1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide

C21H21N5O — CID 71706483

IUPAC1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide
SMILESCC(C)n1ccc2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc21
InChIInChI=1S/C21H21N5O/c1-15(2)26-10-9-17-5-6-18(11-20(17)26)21(27)24-19-7-3-16(4-8-19)12-25-14-22-13-23-25/h3-11,13-15H,12H2,1-2H3,(H,24,27)
InChIKeyJCOBZUYLIQIVIT-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.11
Rot. Bonds5

About 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide

1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide (PubChem CID 71706483) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide
PubChem CID71706483
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide
SMILESCC(C)n1ccc2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc21
InChIInChI=1S/C21H21N5O/c1-15(2)26-10-9-17-5-6-18(11-20(17)26)21(27)24-19-7-3-16(4-8-19)12-25-14-22-13-23-25/h3-11,13-15H,12H2,1-2H3,(H,24,27)
InChIKeyJCOBZUYLIQIVIT-UHFFFAOYSA-N
XLogP4.11
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide
CID 71701709
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180
4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 31957653
N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038170
4-acetyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrole-2-carboxamide
CID 78860169
3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18152748

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide (CID 71706483) is 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide is CC(C)n1ccc2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc21.
What is the InChIKey of 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide?
The InChIKey is JCOBZUYLIQIVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15(2)26-10-9-17-5-6-18(11-20(17)26)21(27)24-19-7-3-16(4-8-19)12-25-14-22-13-23-25/h3-11,13-15H,12H2,1-2H3,(H,24,27).
What are the key properties of 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide?
1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-6-carboxamide is sourced from PubChem (CID 71706483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).