N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide

C19H25N5O2 — CID 70782080

IUPACN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCOCCCn1cnnc1C(C)NC(=O)c1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C19H25N5O2/c1-12-6-7-16-15(10-12)13(2)17(22-16)19(25)21-14(3)18-23-20-11-24(18)8-5-9-26-4/h6-7,10-11,14,22H,5,8-9H2,1-4H3,(H,21,25)
InChIKeyFZQBTWXTRWULKF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.90
Rot. Bonds7

About N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide

N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide (PubChem CID 70782080) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
PubChem CID70782080
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCOCCCn1cnnc1C(C)NC(=O)c1[nH]c2ccc(C)cc2c1C
InChIInChI=1S/C19H25N5O2/c1-12-6-7-16-15(10-12)13(2)17(22-16)19(25)21-14(3)18-23-20-11-24(18)8-5-9-26-4/h6-7,10-11,14,22H,5,8-9H2,1-4H3,(H,21,25)
InChIKeyFZQBTWXTRWULKF-UHFFFAOYSA-N
XLogP2.90
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide (CID 70782080) is N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide is COCCCn1cnnc1C(C)NC(=O)c1[nH]c2ccc(C)cc2c1C.
What is the InChIKey of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide?
The InChIKey is FZQBTWXTRWULKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-6-7-16-15(10-12)13(2)17(22-16)19(25)21-14(3)18-23-20-11-24(18)8-5-9-26-4/h6-7,10-11,14,22H,5,8-9H2,1-4H3,(H,21,25).
What are the key properties of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide?
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70782080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).