6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide

C23H23N5O — CID 112854397

IUPAC6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2cccc(C#N)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H23N5O/c1-3-4-13-28(2)21-15-20(26-22(27-21)18-10-6-5-7-11-18)23(29)25-19-12-8-9-17(14-19)16-24/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,29)
InChIKeyDTFAANDYSXXQJI-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.50
Rot. Bonds7

About 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide

6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854397) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112854397
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2cccc(C#N)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H23N5O/c1-3-4-13-28(2)21-15-20(26-22(27-21)18-10-6-5-7-11-18)23(29)25-19-12-8-9-17(14-19)16-24/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,29)
InChIKeyDTFAANDYSXXQJI-UHFFFAOYSA-N
XLogP4.50
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911
N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853183
6-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854430
N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852927
1-[4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112853886
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 112853871
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide (CID 112854397) is 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)Nc2cccc(C#N)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is DTFAANDYSXXQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-4-13-28(2)21-15-20(26-22(27-21)18-10-6-5-7-11-18)23(29)25-19-12-8-9-17(14-19)16-24/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,29).
What are the key properties of 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).