2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide

C16H17N5O — CID 109262455

IUPAC2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(C#N)cc2)nc1
InChIInChI=1S/C16H17N5O/c1-3-21(4-2)15(22)13-10-18-16(19-11-13)20-14-7-5-12(9-17)6-8-14/h5-8,10-11H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyUYQAKOLHAFYGMA-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.57
Rot. Bonds5

About 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide

2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide (PubChem CID 109262455) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
PubChem CID109262455
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(C#N)cc2)nc1
InChIInChI=1S/C16H17N5O/c1-3-21(4-2)15(22)13-10-18-16(19-11-13)20-14-7-5-12(9-17)6-8-14/h5-8,10-11H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyUYQAKOLHAFYGMA-UHFFFAOYSA-N
XLogP2.57
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109262395
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
2-(3,4-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262443
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459
N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109262419
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262433
N,N-diethyl-4-[(5-nitropyrimidin-2-yl)amino]benzamide
CID 133467286
4-[[5-(piperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109250082

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide (CID 109262455) is 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(Nc2ccc(C#N)cc2)nc1.
What is the InChIKey of 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide?
The InChIKey is UYQAKOLHAFYGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-21(4-2)15(22)13-10-18-16(19-11-13)20-14-7-5-12(9-17)6-8-14/h5-8,10-11H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide?
2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).