1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide

C19H19N5O — CID 71702523

IUPAC1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NCCCc3nnc4ccccn34)cc21
InChIInChI=1S/C19H19N5O/c1-23-12-9-14-7-8-15(13-16(14)23)19(25)20-10-4-6-18-22-21-17-5-2-3-11-24(17)18/h2-3,5,7-9,11-13H,4,6,10H2,1H3,(H,20,25)
InChIKeyULEBKRFQUPQTTP-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.58
Rot. Bonds5

About 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide

1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide (PubChem CID 71702523) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide
PubChem CID71702523
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NCCCc3nnc4ccccn34)cc21
InChIInChI=1S/C19H19N5O/c1-23-12-9-14-7-8-15(13-16(14)23)19(25)20-10-4-6-18-22-21-17-5-2-3-11-24(17)18/h2-3,5,7-9,11-13H,4,6,10H2,1H3,(H,20,25)
InChIKeyULEBKRFQUPQTTP-UHFFFAOYSA-N
XLogP2.58
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947850
2-amino-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,3-benzothiazole-5-carboxamide
CID 155501287
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91822812
6-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 70711892
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491
5-(4-methoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2-oxazole-3-carboxamide
CID 91947614
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide?
The IUPAC name of 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide (CID 71702523) is 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide?
The canonical SMILES for 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide is Cn1ccc2ccc(C(=O)NCCCc3nnc4ccccn34)cc21.
What is the InChIKey of 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide?
The InChIKey is ULEBKRFQUPQTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23-12-9-14-7-8-15(13-16(14)23)19(25)20-10-4-6-18-22-21-17-5-2-3-11-24(17)18/h2-3,5,7-9,11-13H,4,6,10H2,1H3,(H,20,25).
What are the key properties of 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide?
1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide is sourced from PubChem (CID 71702523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).