N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide

C18H21N5O — CID 109264744

IUPACN-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C18H21N5O/c1-3-9-23(10-4-2)18-20-12-15(13-21-18)17(24)22-16-7-5-14(11-19)6-8-16/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyFJZHNLLEMAQDSX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.23
Rot. Bonds7

About N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide

N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide (PubChem CID 109264744) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
PubChem CID109264744
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C18H21N5O/c1-3-9-23(10-4-2)18-20-12-15(13-21-18)17(24)22-16-7-5-14(11-19)6-8-16/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyFJZHNLLEMAQDSX-UHFFFAOYSA-N
XLogP3.23
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109258516
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334197
N-(3-acetylphenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264701
N-(3-chlorophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264675
N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126210
N-(4-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-5-carboxamide
CID 109261793
N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256337
N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250637
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
N-(4-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-5-carboxamide
CID 109261053
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide (CID 109264744) is N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide is CCCN(CCC)c1ncc(C(=O)Nc2ccc(C#N)cc2)cn1.
What is the InChIKey of N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
The InChIKey is FJZHNLLEMAQDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-9-23(10-4-2)18-20-12-15(13-21-18)17(24)22-16-7-5-14(11-19)6-8-16/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide?
N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).