2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

C21H19FN6O — CID 155128770

IUPAC2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cccc(F)n2)nc1
InChIInChI=1S/C21H19FN6O/c1-13-15(16-5-2-3-6-17(16)26-13)9-10-23-20(29)14-11-24-21(25-12-14)28-19-8-4-7-18(22)27-19/h2-8,11-12,26H,9-10H2,1H3,(H,23,29)(H,24,25,27,28)
InChIKeyYBGGBCGVWHRLTO-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.52
Rot. Bonds6

About 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 155128770) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID155128770
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cccc(F)n2)nc1
InChIInChI=1S/C21H19FN6O/c1-13-15(16-5-2-3-6-17(16)26-13)9-10-23-20(29)14-11-24-21(25-12-14)28-19-8-4-7-18(22)27-19/h2-8,11-12,26H,9-10H2,1H3,(H,23,29)(H,24,25,27,28)
InChIKeyYBGGBCGVWHRLTO-UHFFFAOYSA-N
XLogP3.52
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 155128770) is 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cccc(F)n2)nc1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is YBGGBCGVWHRLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-13-15(16-5-2-3-6-17(16)26-13)9-10-23-20(29)14-11-24-21(25-12-14)28-19-8-4-7-18(22)27-19/h2-8,11-12,26H,9-10H2,1H3,(H,23,29)(H,24,25,27,28).
What are the key properties of 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155128770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).