5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide

C15H13FN4O2 — CID 137001781

IUPAC5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2cc(=O)[nH]cn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H13FN4O2/c1-8-11-4-9(16)2-3-12(11)20-14(8)15(22)17-6-10-5-13(21)19-7-18-10/h2-5,7,20H,6H2,1H3,(H,17,22)(H,18,19,21)
InChIKeySKBQVSJBNGDNRM-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.63
Rot. Bonds3

About 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide

5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 137001781) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide
PubChem CID137001781
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2cc(=O)[nH]cn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H13FN4O2/c1-8-11-4-9(16)2-3-12(11)20-14(8)15(22)17-6-10-5-13(21)19-7-18-10/h2-5,7,20H,6H2,1H3,(H,17,22)(H,18,19,21)
InChIKeySKBQVSJBNGDNRM-UHFFFAOYSA-N
XLogP1.63
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide (CID 137001781) is 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide is Cc1c(C(=O)NCc2cc(=O)[nH]cn2)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is SKBQVSJBNGDNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-8-11-4-9(16)2-3-12(11)20-14(8)15(22)17-6-10-5-13(21)19-7-18-10/h2-5,7,20H,6H2,1H3,(H,17,22)(H,18,19,21).
What are the key properties of 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide?
5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 137001781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).