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

C15H16FN3O2 — CID 107856311

IUPAC2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccnc(N)c2F)c1
InChIInChI=1S/C15H16FN3O2/c1-21-11-4-2-3-10(9-11)5-7-19-15(20)12-6-8-18-14(17)13(12)16/h2-4,6,8-9H,5,7H2,1H3,(H2,17,18)(H,19,20)
InChIKeyMRRZXONZFHRIIW-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.78
Rot. Bonds5

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

2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 107856311) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID107856311
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccnc(N)c2F)c1
InChIInChI=1S/C15H16FN3O2/c1-21-11-4-2-3-10(9-11)5-7-19-15(20)12-6-8-18-14(17)13(12)16/h2-4,6,8-9H,5,7H2,1H3,(H2,17,18)(H,19,20)
InChIKeyMRRZXONZFHRIIW-UHFFFAOYSA-N
XLogP1.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695
N-[2-(3-methoxyphenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 107856315
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
2-amino-3-fluoro-N-(3-methoxyphenyl)-N-methylpyridine-4-carboxamide
CID 105385330
3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107856230
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
3-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 105388258
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
CID 110700851

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 107856311) is 2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1cccc(CCNC(=O)c2ccnc(N)c2F)c1.
What is the InChIKey of 2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is MRRZXONZFHRIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-11-4-2-3-10(9-11)5-7-19-15(20)12-6-8-18-14(17)13(12)16/h2-4,6,8-9H,5,7H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 107856311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).