5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide

C14H12FN5O — CID 154798871

IUPAC5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(Nc3cc(F)ncn3)ccc2[nH]1
InChIInChI=1S/C14H12FN5O/c1-16-14(21)11-5-8-4-9(2-3-10(8)20-11)19-13-6-12(15)17-7-18-13/h2-7,20H,1H3,(H,16,21)(H,17,18,19)
InChIKeyNKBBZAWJNXTLQX-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.20
Rot. Bonds3

About 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide

5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide (PubChem CID 154798871) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide
PubChem CID154798871
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(Nc3cc(F)ncn3)ccc2[nH]1
InChIInChI=1S/C14H12FN5O/c1-16-14(21)11-5-8-4-9(2-3-10(8)20-11)19-13-6-12(15)17-7-18-13/h2-7,20H,1H3,(H,16,21)(H,17,18,19)
InChIKeyNKBBZAWJNXTLQX-UHFFFAOYSA-N
XLogP2.20
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307
[difluoro-[2-(methylcarbamoyl)-1H-indol-5-yl]methyl]phosphonic acid
CID 169170618
methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166221418
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-N-methyl-1H-indole-2-carboxamide
CID 136538752
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
CID 46179432
methyl 2-fluoro-4-methyl-5-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166227197
5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221467
N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide
CID 167951270
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221438
4,5-difluoro-N-methyl-1H-indole-2-carboxamide
CID 171750600
N-(3,4-diethoxyphenyl)-6-fluoropyrimidin-4-amine
CID 115416312

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide (CID 154798871) is 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(Nc3cc(F)ncn3)ccc2[nH]1.
What is the InChIKey of 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is NKBBZAWJNXTLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-16-14(21)11-5-8-4-9(2-3-10(8)20-11)19-13-6-12(15)17-7-18-13/h2-7,20H,1H3,(H,16,21)(H,17,18,19).
What are the key properties of 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide?
5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 154798871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).