2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde

C22H23N3O3 — CID 158407094

IUPAC2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
SMILESC=O.Cc1ccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)cc1
InChIInChI=1S/C21H21N3O2.CH2O/c1-14-3-8-17(9-4-14)26-18-10-6-16(7-11-18)13-23-21(25)19-12-5-15(2)24-20(19)22;1-2/h3-12H,13H2,1-2H3,(H2,22,24)(H,23,25);1H2
InChIKeyGYVJPOBZUFIENU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.82
Rot. Bonds5

About 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde

2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde (PubChem CID 158407094) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde.

Molecular Properties

Compound Name2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
PubChem CID158407094
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
SMILESC=O.Cc1ccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)cc1
InChIInChI=1S/C21H21N3O2.CH2O/c1-14-3-8-17(9-4-14)26-18-10-6-16(7-11-18)13-23-21(25)19-12-5-15(2)24-20(19)22;1-2/h3-12H,13H2,1-2H3,(H2,22,24)(H,23,25);1H2
InChIKeyGYVJPOBZUFIENU-UHFFFAOYSA-N
XLogP3.82
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843870
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703
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-N-[[4-(3-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66844381
2-amino-N-[[4-[3-fluoro-5-(trifluoromethoxy)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843358
2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843132
2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide
CID 58104303
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
2-amino-6-fluoro-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104478

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde?
The IUPAC name of 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde (CID 158407094) is 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde.
What is the SMILES notation for 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde?
The canonical SMILES for 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde is C=O.Cc1ccc(Oc2ccc(CNC(=O)c3ccc(C)nc3N)cc2)cc1.
What is the InChIKey of 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde?
The InChIKey is GYVJPOBZUFIENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2.CH2O/c1-14-3-8-17(9-4-14)26-18-10-6-16(7-11-18)13-23-21(25)19-12-5-15(2)24-20(19)22;1-2/h3-12H,13H2,1-2H3,(H2,22,24)(H,23,25);1H2.
What are the key properties of 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde?
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde has a molecular weight of 377.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde is sourced from PubChem (CID 158407094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).