4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide

C15H16FN3O — CID 81245489

IUPAC4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)c1cnccc1N
InChIInChI=1S/C15H16FN3O/c1-10-8-12(16)3-2-11(10)4-7-19-15(20)13-9-18-6-5-14(13)17/h2-3,5-6,8-9H,4,7H2,1H3,(H2,17,18)(H,19,20)
InChIKeyFHCULEQPLTZGDU-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.08
Rot. Bonds4

About 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide

4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 81245489) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID81245489
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(F)ccc1CCNC(=O)c1cnccc1N
InChIInChI=1S/C15H16FN3O/c1-10-8-12(16)3-2-11(10)4-7-19-15(20)13-9-18-6-5-14(13)17/h2-3,5-6,8-9H,4,7H2,1H3,(H2,17,18)(H,19,20)
InChIKeyFHCULEQPLTZGDU-UHFFFAOYSA-N
XLogP2.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide
CID 106544675
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
CID 81459566
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
4,5-dibromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 80536566
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
4-amino-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 81235930
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103747121
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 71856953

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide (CID 81245489) is 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1cc(F)ccc1CCNC(=O)c1cnccc1N.
What is the InChIKey of 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is FHCULEQPLTZGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-8-12(16)3-2-11(10)4-7-19-15(20)13-9-18-6-5-14(13)17/h2-3,5-6,8-9H,4,7H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide?
4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81245489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).