N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide

C19H15N5O — CID 109356261

IUPACN-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccccc3C#N)ncn2)cc1
InChIInChI=1S/C19H15N5O/c1-13-6-8-15(9-7-13)23-18-10-17(21-12-22-18)19(25)24-16-5-3-2-4-14(16)11-20/h2-10,12H,1H3,(H,24,25)(H,21,22,23)
InChIKeyKXMKSXPHLAKJAJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.65
Rot. Bonds4

About N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109356261) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
PubChem CID109356261
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccccc3C#N)ncn2)cc1
InChIInChI=1S/C19H15N5O/c1-13-6-8-15(9-7-13)23-18-10-17(21-12-22-18)19(25)24-16-5-3-2-4-14(16)11-20/h2-10,12H,1H3,(H,24,25)(H,21,22,23)
InChIKeyKXMKSXPHLAKJAJ-UHFFFAOYSA-N
XLogP3.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109359869
N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109356188
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344223
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
ethyl 2-[[6-(4-cyanoanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109359913

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide (CID 109356261) is N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)Nc3ccccc3C#N)ncn2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is KXMKSXPHLAKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-6-8-15(9-7-13)23-18-10-17(21-12-22-18)19(25)24-16-5-3-2-4-14(16)11-20/h2-10,12H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).