N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide

C23H25N4OP — CID 146259210

IUPACN-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide
SMILESCC(C)n1pccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C23H25N4OP/c1-15(2)27-21(10-11-29-27)20-13-18(22(28)26-23(3,4)5)12-19(25-20)17-8-6-16(14-24)7-9-17/h6-13,15H,1-5H3,(H,26,28)
InChIKeyXGTFJSMCIVWLPY-UHFFFAOYSA-N
MW404.45 g/mol
LogP5.78
Rot. Bonds4

About N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide

N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide (PubChem CID 146259210) has the molecular formula C23H25N4OP and a molecular weight of 404.45 g/mol. Its IUPAC name is N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide
PubChem CID146259210
Molecular FormulaC23H25N4OP
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC NameN-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide
SMILESCC(C)n1pccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C23H25N4OP/c1-15(2)27-21(10-11-29-27)20-13-18(22(28)26-23(3,4)5)12-19(25-20)17-8-6-16(14-24)7-9-17/h6-13,15H,1-5H3,(H,26,28)
InChIKeyXGTFJSMCIVWLPY-UHFFFAOYSA-N
XLogP5.78
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 130344579
N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 130298799
N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 130298809
N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
CID 130298813
tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate
CID 54128795
N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 130298832
N-tert-butyl-3-(4-fluorophenyl)-5-(3-propan-2-ylimidazol-4-yl)benzamide
CID 134439911
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966668
N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 130298804
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109089232
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide (CID 146259210) is N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide is CC(C)n1pccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C#N)cc2)n1.
What is the InChIKey of N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide?
The InChIKey is XGTFJSMCIVWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N4OP/c1-15(2)27-21(10-11-29-27)20-13-18(22(28)26-23(3,4)5)12-19(25-20)17-8-6-16(14-24)7-9-17/h6-13,15H,1-5H3,(H,26,28).
What are the key properties of N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide?
N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 146259210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).