N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide

C17H19N5O — CID 71830667

IUPACN-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(C#N)cc2)nc(N(C)C)n1
InChIInChI=1S/C17H19N5O/c1-11(2)14-9-15(21-17(20-14)22(3)4)16(23)19-13-7-5-12(10-18)6-8-13/h5-9,11H,1-4H3,(H,19,23)
InChIKeyRPNRITJCSPMEFX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.79
Rot. Bonds4

About N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide

N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 71830667) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID71830667
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(C#N)cc2)nc(N(C)C)n1
InChIInChI=1S/C17H19N5O/c1-11(2)14-9-15(21-17(20-14)22(3)4)16(23)19-13-7-5-12(10-18)6-8-13/h5-9,11H,1-4H3,(H,19,23)
InChIKeyRPNRITJCSPMEFX-UHFFFAOYSA-N
XLogP2.79
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-cyanophenyl)-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100676
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334197
N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201674
5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109200559
4-[[2-[cyclobutyl(ethyl)amino]-6-propan-2-ylpyrimidine-4-carbonyl]amino]benzoic acid
CID 171085319
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
N-(4-cyanophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362875
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide (CID 71830667) is N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1cc(C(=O)Nc2ccc(C#N)cc2)nc(N(C)C)n1.
What is the InChIKey of N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is RPNRITJCSPMEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(2)14-9-15(21-17(20-14)22(3)4)16(23)19-13-7-5-12(10-18)6-8-13/h5-9,11H,1-4H3,(H,19,23).
What are the key properties of N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide?
N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(dimethylamino)-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 71830667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).