2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

C21H19FN6O — CID 155128765

IUPAC2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cc(F)ccn2)nc1
InChIInChI=1S/C21H19FN6O/c1-13-16(17-4-2-3-5-18(17)27-13)7-9-24-20(29)14-11-25-21(26-12-14)28-19-10-15(22)6-8-23-19/h2-6,8,10-12,27H,7,9H2,1H3,(H,24,29)(H,23,25,26,28)
InChIKeyFGWCUFGCDLXLOX-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.52
Rot. Bonds6

About 2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 155128765) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID155128765
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cc(F)ccn2)nc1
InChIInChI=1S/C21H19FN6O/c1-13-16(17-4-2-3-5-18(17)27-13)7-9-24-20(29)14-11-25-21(26-12-14)28-19-10-15(22)6-8-23-19/h2-6,8,10-12,27H,7,9H2,1H3,(H,24,29)(H,23,25,26,28)
InChIKeyFGWCUFGCDLXLOX-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 155128765) is 2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)c1cnc(Nc2cc(F)ccn2)nc1.
What is the InChIKey of 2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is FGWCUFGCDLXLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-13-16(17-4-2-3-5-18(17)27-13)7-9-24-20(29)14-11-25-21(26-12-14)28-19-10-15(22)6-8-23-19/h2-6,8,10-12,27H,7,9H2,1H3,(H,24,29)(H,23,25,26,28).
What are the key properties of 2-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-[(4-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-[(4-fluoro-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155128765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).