2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide

C25H29N3O2 — CID 66843132

IUPAC2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(Oc3cccc(C(C)C(C)C)c3)cc2)c(N)n1
InChIInChI=1S/C25H29N3O2/c1-16(2)18(4)20-6-5-7-22(14-20)30-21-11-9-19(10-12-21)15-27-25(29)23-13-8-17(3)28-24(23)26/h5-14,16,18H,15H2,1-4H3,(H2,26,28)(H,27,29)
InChIKeyRKZWGGZOQYUWHI-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.45
Rot. Bonds7

About 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide

2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66843132) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID66843132
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(Oc3cccc(C(C)C(C)C)c3)cc2)c(N)n1
InChIInChI=1S/C25H29N3O2/c1-16(2)18(4)20-6-5-7-22(14-20)30-21-11-9-19(10-12-21)15-27-25(29)23-13-8-17(3)28-24(23)26/h5-14,16,18H,15H2,1-4H3,(H2,26,28)(H,27,29)
InChIKeyRKZWGGZOQYUWHI-UHFFFAOYSA-N
XLogP5.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271
2-amino-N-[[4-(3-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66844381
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
2-amino-6-fluoro-N-[[4-(3-pentan-3-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843737
2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843870
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-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104423
2-amino-N-[[4-[3-fluoro-5-(trifluoromethoxy)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843358
2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide
CID 58104303

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide (CID 66843132) is 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(Oc3cccc(C(C)C(C)C)c3)cc2)c(N)n1.
What is the InChIKey of 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is RKZWGGZOQYUWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-16(2)18(4)20-6-5-7-22(14-20)30-21-11-9-19(10-12-21)15-27-25(29)23-13-8-17(3)28-24(23)26/h5-14,16,18H,15H2,1-4H3,(H2,26,28)(H,27,29).
What are the key properties of 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).