N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide

C22H22N2O2 — CID 93232609

IUPACN-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-3-16(2)24-22(25)19-13-18(14-23-15-19)17-9-11-21(12-10-17)26-20-7-5-4-6-8-20/h4-16H,3H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyLKYZRGFUNUDBEN-MRXNPFEDSA-N
MW346.43 g/mol
LogP5.07
Rot. Bonds6

About N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide

N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide (PubChem CID 93232609) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide
PubChem CID93232609
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-3-16(2)24-22(25)19-13-18(14-23-15-19)17-9-11-21(12-10-17)26-20-7-5-4-6-8-20/h4-16H,3H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyLKYZRGFUNUDBEN-MRXNPFEDSA-N
XLogP5.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-butan-2-yl-3-N-(2-phenoxyphenyl)pyridine-3,5-dicarboxamide
CID 109102453
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 46032971
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109102415
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
5-[benzyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109225138
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 50795469
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
CID 46032979

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide (CID 93232609) is N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide is CC[C@@H](C)NC(=O)c1cncc(-c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide?
The InChIKey is LKYZRGFUNUDBEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-3-16(2)24-22(25)19-13-18(14-23-15-19)17-9-11-21(12-10-17)26-20-7-5-4-6-8-20/h4-16H,3H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide?
N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 93232609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).