6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide

C23H21FN4O — CID 10385607

IUPAC6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(C#N)c2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H21FN4O/c1-15(2)20-11-22(28-19-5-3-4-17(10-19)12-25)26-14-21(20)23(29)27-13-16-6-8-18(24)9-7-16/h3-11,14-15H,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKCHREVSBHQMREC-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.89
Rot. Bonds6

About 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide

6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 10385607) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
PubChem CID10385607
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(C#N)c2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H21FN4O/c1-15(2)20-11-22(28-19-5-3-4-17(10-19)12-25)26-14-21(20)23(29)27-13-16-6-8-18(24)9-7-16/h3-11,14-15H,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKCHREVSBHQMREC-UHFFFAOYSA-N
XLogP4.89
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939
5-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233652
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10047143
6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157383
N-[(4-fluorophenyl)methyl]-6-(4-isocyano-2-methylanilino)-4-propan-2-ylpyridine-3-carboxamide
CID 58893571
6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122198
6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10342262
6-(4-cyano-2-fluoroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731665
6-(3-chloroanilino)-N-(2,2-dimethylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570166
6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570167
2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide
CID 113022787
1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 121004595

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide (CID 10385607) is 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide is CC(C)c1cc(Nc2cccc(C#N)c2)ncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is KCHREVSBHQMREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-15(2)20-11-22(28-19-5-3-4-17(10-19)12-25)26-14-21(20)23(29)27-13-16-6-8-18(24)9-7-16/h3-11,14-15H,13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide?
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 10385607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).