N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide

C15H15N5O — CID 109294912

IUPACN-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nccc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C15H15N5O/c1-2-8-17-15-18-9-7-13(20-15)14(21)19-12-6-4-3-5-11(12)10-16/h3-7,9H,2,8H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyYSOSRTIATFGUIW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.42
Rot. Bonds5

About N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide

N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109294912) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109294912
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nccc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C15H15N5O/c1-2-8-17-15-18-9-7-13(20-15)14(21)19-12-6-4-3-5-11(12)10-16/h3-7,9H,2,8H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyYSOSRTIATFGUIW-UHFFFAOYSA-N
XLogP2.42
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
N-butyl-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109296685
2-(4-chloroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109316972
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317101
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851336
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
N-(2-cyanophenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318808
N-(2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239776
4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079363
2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109317339
N-(3-chloro-4-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317314

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide (CID 109294912) is N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nccc(C(=O)Nc2ccccc2C#N)n1.
What is the InChIKey of N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is YSOSRTIATFGUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-8-17-15-18-9-7-13(20-15)14(21)19-12-6-4-3-5-11(12)10-16/h3-7,9H,2,8H2,1H3,(H,19,21)(H,17,18,20).
What are the key properties of N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109294912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).