N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide

C19H15N5O — CID 109314273

IUPACN-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nccc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C19H15N5O/c1-24(16-8-3-2-4-9-16)19-21-11-10-17(23-19)18(25)22-15-7-5-6-14(12-15)13-20/h2-12H,1H3,(H,22,25)
InChIKeyHGMYAQGUXVRJDP-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.37
Rot. Bonds4

About N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide

N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109314273) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109314273
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nccc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C19H15N5O/c1-24(16-8-3-2-4-9-16)19-21-11-10-17(23-19)18(25)22-15-7-5-6-14(12-15)13-20/h2-12H,1H3,(H,22,25)
InChIKeyHGMYAQGUXVRJDP-UHFFFAOYSA-N
XLogP3.37
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317549
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314256
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
4-(3-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109222335
2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314243

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide (CID 109314273) is N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide is CN(c1ccccc1)c1nccc(C(=O)Nc2cccc(C#N)c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is HGMYAQGUXVRJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-24(16-8-3-2-4-9-16)19-21-11-10-17(23-19)18(25)22-15-7-5-6-14(12-15)13-20/h2-12H,1H3,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).