2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide

C21H28FN3O2 — CID 66844233

IUPAC2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCCCCCCCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1F
InChIInChI=1S/C21H28FN3O2/c1-3-4-5-6-7-13-27-18-10-8-9-16(19(18)22)14-24-21(26)17-12-11-15(2)25-20(17)23/h8-12H,3-7,13-14H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyHFHGGRWQQZQJDS-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.39
Rot. Bonds10

About 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide

2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 66844233) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID66844233
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCCCCCCCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1F
InChIInChI=1S/C21H28FN3O2/c1-3-4-5-6-7-13-27-18-10-8-9-16(19(18)22)14-24-21(26)17-12-11-15(2)25-20(17)23/h8-12H,3-7,13-14H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyHFHGGRWQQZQJDS-UHFFFAOYSA-N
XLogP4.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2-fluoro-3-pent-3-enoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66843780
2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843381
2-amino-N-[[3-[(E)-but-2-enoxy]-2-fluorophenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843405
2-amino-6-fluoro-N-[(2-fluoro-3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843630
2-amino-N-[(2-fluoro-3-hex-5-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 87176359
2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 87176385
2,6-diamino-N-[(2-fluoro-3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104467
2-amino-N-[(2-fluoro-3-hept-5-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66844010
2-amino-6-fluoro-N-[[2-fluoro-3-[(E)-pent-2-enoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844331
2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 66843496
2-amino-N-[(2-fluoro-3-hept-6-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843382
2-amino-N-[(2-fluoro-3-hex-4-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843815

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide (CID 66844233) is 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide is CCCCCCCOc1cccc(CNC(=O)c2ccc(C)nc2N)c1F.
What is the InChIKey of 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is HFHGGRWQQZQJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-3-4-5-6-7-13-27-18-10-8-9-16(19(18)22)14-24-21(26)17-12-11-15(2)25-20(17)23/h8-12H,3-7,13-14H2,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 66844233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).