7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide

C15H14N4O — CID 63117500

IUPAC7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C15H14N4O/c1-9-4-3-7-17-14(9)19-15(20)12-8-10-5-2-6-11(16)13(10)18-12/h2-8,18H,16H2,1H3,(H,17,19,20)
InChIKeyBWKLOMAYRHDJHD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.71
Rot. Bonds2

About 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide

7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide (PubChem CID 63117500) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
PubChem CID63117500
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C15H14N4O/c1-9-4-3-7-17-14(9)19-15(20)12-8-10-5-2-6-11(16)13(10)18-12/h2-8,18H,16H2,1H3,(H,17,19,20)
InChIKeyBWKLOMAYRHDJHD-UHFFFAOYSA-N
XLogP2.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide (CID 63117500) is 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide is Cc1cccnc1NC(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide?
The InChIKey is BWKLOMAYRHDJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-4-3-7-17-14(9)19-15(20)12-8-10-5-2-6-11(16)13(10)18-12/h2-8,18H,16H2,1H3,(H,17,19,20).
What are the key properties of 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide?
7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).