6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide

C16H19ClN6O — CID 166314714

IUPAC6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide
SMILESCc1cc(Cl)cc2[nH]c(C(=O)N(C)CC(C)(C)c3nn[nH]n3)cc12
InChIInChI=1S/C16H19ClN6O/c1-9-5-10(17)6-12-11(9)7-13(18-12)14(24)23(4)8-16(2,3)15-19-21-22-20-15/h5-7,18H,8H2,1-4H3,(H,19,20,21,22)
InChIKeyKIJBUMCGAOHLSM-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.69
Rot. Bonds4

About 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide

6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 166314714) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide
PubChem CID166314714
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide
SMILESCc1cc(Cl)cc2[nH]c(C(=O)N(C)CC(C)(C)c3nn[nH]n3)cc12
InChIInChI=1S/C16H19ClN6O/c1-9-5-10(17)6-12-11(9)7-13(18-12)14(24)23(4)8-16(2,3)15-19-21-22-20-15/h5-7,18H,8H2,1-4H3,(H,19,20,21,22)
InChIKeyKIJBUMCGAOHLSM-UHFFFAOYSA-N
XLogP2.69
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide (CID 166314714) is 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide is Cc1cc(Cl)cc2[nH]c(C(=O)N(C)CC(C)(C)c3nn[nH]n3)cc12.
What is the InChIKey of 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide?
The InChIKey is KIJBUMCGAOHLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-9-5-10(17)6-12-11(9)7-13(18-12)14(24)23(4)8-16(2,3)15-19-21-22-20-15/h5-7,18H,8H2,1-4H3,(H,19,20,21,22).
What are the key properties of 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide?
6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,4-dimethyl-N-[2-methyl-2-(2H-tetrazol-5-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166314714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).