2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide

C19H22N4O2 — CID 121294103

IUPAC2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
SMILESC#CC(=O)N[C@@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
InChIInChI=1S/C19H22N4O2/c1-4-16(24)22-13-6-5-9-23(10-13)15-8-7-14(19(20)25)18-17(15)11(2)12(3)21-18/h1,7-8,13,21H,5-6,9-10H2,2-3H3,(H2,20,25)(H,22,24)/t13-/m1/s1
InChIKeyKOPOYDUMMWHQPD-CYBMUJFWSA-N
MW338.41 g/mol
LogP1.60
Rot. Bonds3

About 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide

2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide (PubChem CID 121294103) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
PubChem CID121294103
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
SMILESC#CC(=O)N[C@@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
InChIInChI=1S/C19H22N4O2/c1-4-16(24)22-13-6-5-9-23(10-13)15-8-7-14(19(20)25)18-17(15)11(2)12(3)21-18/h1,7-8,13,21H,5-6,9-10H2,2-3H3,(H2,20,25)(H,22,24)/t13-/m1/s1
InChIKeyKOPOYDUMMWHQPD-CYBMUJFWSA-N
XLogP1.60
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide (CID 121294103) is 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide is C#CC(=O)N[C@@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1.
What is the InChIKey of 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide?
The InChIKey is KOPOYDUMMWHQPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-16(24)22-13-6-5-9-23(10-13)15-8-7-14(19(20)25)18-17(15)11(2)12(3)21-18/h1,7-8,13,21H,5-6,9-10H2,2-3H3,(H2,20,25)(H,22,24)/t13-/m1/s1.
What are the key properties of 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide?
2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 121294103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).