2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide

C20H22FN3O3 — CID 87176385

IUPAC2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESC#CCCCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1F
InChIInChI=1S/C20H22FN3O3/c1-3-4-5-11-27-17-8-6-7-14(18(17)21)12-23-20(25)16-10-9-15(13-26-2)24-19(16)22/h1,6-10H,4-5,11-13H2,2H3,(H2,22,24)(H,23,25)
InChIKeyGUGDCOHLVQQIDZ-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.67
Rot. Bonds9

About 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide

2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide (PubChem CID 87176385) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
PubChem CID87176385
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESC#CCCCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1F
InChIInChI=1S/C20H22FN3O3/c1-3-4-5-11-27-17-8-6-7-14(18(17)21)12-23-20(25)16-10-9-15(13-26-2)24-19(16)22/h1,6-10H,4-5,11-13H2,2H3,(H2,22,24)(H,23,25)
InChIKeyGUGDCOHLVQQIDZ-UHFFFAOYSA-N
XLogP2.67
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-fluoro-3-hex-5-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 87176359
2-amino-N-[(2-fluoro-3-hex-4-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843815
2-amino-N-[(2-fluoro-3-hept-5-enoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66844010
2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843035
2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843381
2-amino-N-[(2-fluoro-3-heptoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66844233
2,6-diamino-N-[(2-fluoro-3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104467
2-amino-N-[(2-fluoro-3-pent-3-enoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 66843780
2-amino-6-fluoro-N-[(2-fluoro-3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843630
2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843992
2-amino-N-[(3-ethoxy-2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 66843496
(2-fluoro-3-pent-4-ynoxyphenyl)methanamine
CID 58104319

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide (CID 87176385) is 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide is C#CCCCOc1cccc(CNC(=O)c2ccc(COC)nc2N)c1F.
What is the InChIKey of 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The InChIKey is GUGDCOHLVQQIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-3-4-5-11-27-17-8-6-7-14(18(17)21)12-23-20(25)16-10-9-15(13-26-2)24-19(16)22/h1,6-10H,4-5,11-13H2,2H3,(H2,22,24)(H,23,25).
What are the key properties of 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 87176385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).