N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide

C24H25N5O — CID 109318587

IUPACN-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1nccc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C24H25N5O/c1-15(2)19-9-6-10-20(16(3)4)22(19)29-24-26-12-11-21(28-24)23(30)27-18-8-5-7-17(13-18)14-25/h5-13,15-16H,1-4H3,(H,27,30)(H,26,28,29)
InChIKeyUDUGJYRBKCTFLE-UHFFFAOYSA-N
MW399.50 g/mol
LogP5.59
Rot. Bonds6

About N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide

N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide (PubChem CID 109318587) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
PubChem CID109318587
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1nccc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C24H25N5O/c1-15(2)19-9-6-10-20(16(3)4)22(19)29-24-26-12-11-21(28-24)23(30)27-18-8-5-7-17(13-18)14-25/h5-13,15-16H,1-4H3,(H,27,30)(H,26,28,29)
InChIKeyUDUGJYRBKCTFLE-UHFFFAOYSA-N
XLogP5.59
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316121
2-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317385
2-N-(3-cyanophenyl)-6-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100701
N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314747
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317549
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317340
2-(3-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311960
N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298766
2-(3-cyanoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317597
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide (CID 109318587) is N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide is CC(C)c1cccc(C(C)C)c1Nc1nccc(C(=O)Nc2cccc(C#N)c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide?
The InChIKey is UDUGJYRBKCTFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-15(2)19-9-6-10-20(16(3)4)22(19)29-24-26-12-11-21(28-24)23(30)27-18-8-5-7-17(13-18)14-25/h5-13,15-16H,1-4H3,(H,27,30)(H,26,28,29).
What are the key properties of N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109318587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).