6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide

C22H23N3O2 — CID 109160992

IUPAC6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cn1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)25-20-14-13-16(15-23-20)21(26)24-18-11-7-8-12-19(18)27-17-9-5-4-6-10-17/h4-15H,1-3H3,(H,23,25)(H,24,26)
InChIKeyYYXSOQVAAKIJDA-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.34
Rot. Bonds5

About 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide

6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide (PubChem CID 109160992) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
PubChem CID109160992
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cn1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)25-20-14-13-16(15-23-20)21(26)24-18-11-7-8-12-19(18)27-17-9-5-4-6-10-17/h4-15H,1-3H3,(H,23,25)(H,24,26)
InChIKeyYYXSOQVAAKIJDA-UHFFFAOYSA-N
XLogP5.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
6-(cyclopropylamino)-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 60563554
6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696
4-fluoro-N-[6-(2-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021986
N-(2-phenoxyphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110863703
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
N-(2-methoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158244
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109287391
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151538
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide (CID 109160992) is 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide is CC(C)(C)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cn1.
What is the InChIKey of 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide?
The InChIKey is YYXSOQVAAKIJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(2,3)25-20-14-13-16(15-23-20)21(26)24-18-11-7-8-12-19(18)27-17-9-5-4-6-10-17/h4-15H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide?
6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109160992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).