N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C16H16FN3O — CID 105384126

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C16H16FN3O/c1-18-15-14(17)13(7-8-19-15)16(21)20-12-6-5-10-3-2-4-11(10)9-12/h5-9H,2-4H2,1H3,(H,18,19)(H,20,21)
InChIKeyIMNJXMLYUXNSGB-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.00
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105384126) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105384126
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C16H16FN3O/c1-18-15-14(17)13(7-8-19-15)16(21)20-12-6-5-10-3-2-4-11(10)9-12/h5-9H,2-4H2,1H3,(H,18,19)(H,20,21)
InChIKeyIMNJXMLYUXNSGB-UHFFFAOYSA-N
XLogP3.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide
CID 105068002
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 105384003
3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105384530
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
N-(2,3-difluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385160
3-fluoro-2-(methylamino)-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105387045
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 114369877
3-fluoro-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 105387664
3-fluoro-N-(3-fluorophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387962

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105384126) is N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2ccc3c(c2)CCC3)c1F.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is IMNJXMLYUXNSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-18-15-14(17)13(7-8-19-15)16(21)20-12-6-5-10-3-2-4-11(10)9-12/h5-9H,2-4H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105384126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).