7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide

C16H16N4O — CID 114931643

IUPAC7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc3cccc(N)c3[nH]2)c1
InChIInChI=1S/C16H16N4O/c1-9-6-10(2)18-14(7-9)20-16(21)13-8-11-4-3-5-12(17)15(11)19-13/h3-8,19H,17H2,1-2H3,(H,18,20,21)
InChIKeyXJFPVJZFWOCYHB-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.01
Rot. Bonds2

About 7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide

7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide (PubChem CID 114931643) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide
PubChem CID114931643
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc3cccc(N)c3[nH]2)c1
InChIInChI=1S/C16H16N4O/c1-9-6-10(2)18-14(7-9)20-16(21)13-8-11-4-3-5-12(17)15(11)19-13/h3-8,19H,17H2,1-2H3,(H,18,20,21)
InChIKeyXJFPVJZFWOCYHB-UHFFFAOYSA-N
XLogP3.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.01
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-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide (CID 114931643) is 7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc3cccc(N)c3[nH]2)c1.
What is the InChIKey of 7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide?
The InChIKey is XJFPVJZFWOCYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-9-6-10(2)18-14(7-9)20-16(21)13-8-11-4-3-5-12(17)15(11)19-13/h3-8,19H,17H2,1-2H3,(H,18,20,21).
What are the key properties of 7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide?
7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 114931643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).