2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide

C24H27N3O3 — CID 66843870

IUPAC2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCCCCOc1ccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-3-4-15-29-19-10-12-21(13-11-19)30-20-8-6-18(7-9-20)16-26-24(28)22-14-5-17(2)27-23(22)25/h5-14H,3-4,15-16H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyPLIUOCKTZBNUMZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.87
Rot. Bonds9

About 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide

2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 66843870) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID66843870
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCCCCOc1ccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-3-4-15-29-19-10-12-21(13-11-19)30-20-8-6-18(7-9-20)16-26-24(28)22-14-5-17(2)27-23(22)25/h5-14H,3-4,15-16H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyPLIUOCKTZBNUMZ-UHFFFAOYSA-N
XLogP4.87
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[4-(3-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66844381
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703
2-amino-6-(methoxymethyl)-N-[[4-(4-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843370
2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide
CID 83577781
2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843895
2-amino-N-[[4-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843636
2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843132
2-amino-N-[[4-[3-fluoro-5-(trifluoromethoxy)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843358
2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide
CID 58104303

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide (CID 66843870) is 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide is CCCCOc1ccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)cc1.
What is the InChIKey of 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is PLIUOCKTZBNUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-4-15-29-19-10-12-21(13-11-19)30-20-8-6-18(7-9-20)16-26-24(28)22-14-5-17(2)27-23(22)25/h5-14H,3-4,15-16H2,1-2H3,(H2,25,27)(H,26,28).
What are the key properties of 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide?
2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 66843870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).