3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide

C15H13ClN4O — CID 51090722

IUPAC3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1nccc(CNC(=O)c2[nH]c3ccccc3c2Cl)n1
InChIInChI=1S/C15H13ClN4O/c1-9-17-7-6-10(19-9)8-18-15(21)14-13(16)11-4-2-3-5-12(11)20-14/h2-7,20H,8H2,1H3,(H,18,21)
InChIKeyMOEZWINQFLZBNG-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.85
Rot. Bonds3

About 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide

3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 51090722) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide
PubChem CID51090722
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1nccc(CNC(=O)c2[nH]c3ccccc3c2Cl)n1
InChIInChI=1S/C15H13ClN4O/c1-9-17-7-6-10(19-9)8-18-15(21)14-13(16)11-4-2-3-5-12(11)20-14/h2-7,20H,8H2,1H3,(H,18,21)
InChIKeyMOEZWINQFLZBNG-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide (CID 51090722) is 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide is Cc1nccc(CNC(=O)c2[nH]c3ccccc3c2Cl)n1.
What is the InChIKey of 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is MOEZWINQFLZBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9-17-7-6-10(19-9)8-18-15(21)14-13(16)11-4-2-3-5-12(11)20-14/h2-7,20H,8H2,1H3,(H,18,21).
What are the key properties of 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide?
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51090722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).