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

C25H29N3O2 — CID 66843703

IUPAC2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(Oc3ccc(CCC(C)C)cc3)cc2)c(N)n1
InChIInChI=1S/C25H29N3O2/c1-17(2)4-6-19-7-11-21(12-8-19)30-22-13-9-20(10-14-22)16-27-25(29)23-15-5-18(3)28-24(23)26/h5,7-15,17H,4,6,16H2,1-3H3,(H2,26,28)(H,27,29)
InChIKeyTWAHXWHRQRFIIC-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.28
Rot. Bonds8

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

2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66843703) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID66843703
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(Oc3ccc(CCC(C)C)cc3)cc2)c(N)n1
InChIInChI=1S/C25H29N3O2/c1-17(2)4-6-19-7-11-21(12-8-19)30-22-13-9-20(10-14-22)16-27-25(29)23-15-5-18(3)28-24(23)26/h5,7-15,17H,4,6,16H2,1-3H3,(H2,26,28)(H,27,29)
InChIKeyTWAHXWHRQRFIIC-UHFFFAOYSA-N
XLogP5.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843870
2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843132
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-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
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-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-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide (CID 66843703) is 2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(Oc3ccc(CCC(C)C)cc3)cc2)c(N)n1.
What is the InChIKey of 2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is TWAHXWHRQRFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17(2)4-6-19-7-11-21(12-8-19)30-22-13-9-20(10-14-22)16-27-25(29)23-15-5-18(3)28-24(23)26/h5,7-15,17H,4,6,16H2,1-3H3,(H2,26,28)(H,27,29).
What are the key properties of 2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 5.28, 8 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-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).