N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide

C19H25N5O — CID 51498035

IUPACN-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)NC[C@@H](C)n3nc(C)nc3C)c(C)c2c1
InChIInChI=1S/C19H25N5O/c1-10-7-11(2)17-16(8-10)13(4)18(22-17)19(25)20-9-12(3)24-15(6)21-14(5)23-24/h7-8,12,22H,9H2,1-6H3,(H,20,25)/t12-/m1/s1
InChIKeyNOILBHMFDHORMR-GFCCVEGCSA-N
MW339.44 g/mol
LogP3.29
Rot. Bonds4

About N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide

N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide (PubChem CID 51498035) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
PubChem CID51498035
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)NC[C@@H](C)n3nc(C)nc3C)c(C)c2c1
InChIInChI=1S/C19H25N5O/c1-10-7-11(2)17-16(8-10)13(4)18(22-17)19(25)20-9-12(3)24-15(6)21-14(5)23-24/h7-8,12,22H,9H2,1-6H3,(H,20,25)/t12-/m1/s1
InChIKeyNOILBHMFDHORMR-GFCCVEGCSA-N
XLogP3.29
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

2-ethyl-1-[(3R)-1-[(5-ethyl-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776357
N-[6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822922
N-[6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822923
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155670992
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-pyridin-4-yl-1H-indole-2-carboxamide
CID 155670995
7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671004
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 155671006
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]indole-2-carboxamide
CID 155671015
3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671017
N-[2-(1H-indol-3-yl)ethyl]-4-(1H-tetrazol-1-yl)benzamide
CID 2116123
6-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 164617981
US11352361, Example 35
CID 142452624

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide (CID 51498035) is N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2[nH]c(C(=O)NC[C@@H](C)n3nc(C)nc3C)c(C)c2c1.
What is the InChIKey of N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The InChIKey is NOILBHMFDHORMR-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25N5O/c1-10-7-11(2)17-16(8-10)13(4)18(22-17)19(25)20-9-12(3)24-15(6)21-14(5)23-24/h7-8,12,22H,9H2,1-6H3,(H,20,25)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,5,7-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 51498035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).