N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

C21H21N5O — CID 110205202

IUPACN-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccccn12)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C21H21N5O/c27-20(12-11-19-25-24-18-10-3-4-13-26(18)19)22-17-9-5-7-15-14-6-1-2-8-16(14)23-21(15)17/h1-4,6,8,10,13,17,23H,5,7,9,11-12H2,(H,22,27)
InChIKeyUBKMQVCCAZIYHN-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.34
Rot. Bonds4

About N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (PubChem CID 110205202) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
PubChem CID110205202
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccccn12)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C21H21N5O/c27-20(12-11-19-25-24-18-10-3-4-13-26(18)19)22-17-9-5-7-15-14-6-1-2-8-16(14)23-21(15)17/h1-4,6,8,10,13,17,23H,5,7,9,11-12H2,(H,22,27)
InChIKeyUBKMQVCCAZIYHN-UHFFFAOYSA-N
XLogP3.34
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The IUPAC name of N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (CID 110205202) is N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.
What is the SMILES notation for N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The canonical SMILES for N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is O=C(CCc1nnc2ccccn12)NC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The InChIKey is UBKMQVCCAZIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-20(12-11-19-25-24-18-10-3-4-13-26(18)19)22-17-9-5-7-15-14-6-1-2-8-16(14)23-21(15)17/h1-4,6,8,10,13,17,23H,5,7,9,11-12H2,(H,22,27).
What are the key properties of N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 110205202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).