2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide

C21H19N5O — CID 109258516

IUPAC2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C21H19N5O/c1-2-26(15-17-6-4-3-5-7-17)21-23-13-18(14-24-21)20(27)25-19-10-8-16(12-22)9-11-19/h3-11,13-14H,2,15H2,1H3,(H,25,27)
InChIKeyKCRLQTRNIZYTAM-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.63
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide

2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide (PubChem CID 109258516) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide
PubChem CID109258516
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)Nc2ccc(C#N)cc2)cn1
InChIInChI=1S/C21H19N5O/c1-2-26(15-17-6-4-3-5-7-17)21-23-13-18(14-24-21)20(27)25-19-10-8-16(12-22)9-11-19/h3-11,13-14H,2,15H2,1H3,(H,25,27)
InChIKeyKCRLQTRNIZYTAM-UHFFFAOYSA-N
XLogP3.63
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109258493
N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264744
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
2-[benzyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258481
2-[benzyl(ethyl)amino]-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256352
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258482
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109258488
2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265734
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
4-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]benzonitrile
CID 112860551

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide (CID 109258516) is 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide is CCN(Cc1ccccc1)c1ncc(C(=O)Nc2ccc(C#N)cc2)cn1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide?
The InChIKey is KCRLQTRNIZYTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-26(15-17-6-4-3-5-7-17)21-23-13-18(14-24-21)20(27)25-19-10-8-16(12-22)9-11-19/h3-11,13-14H,2,15H2,1H3,(H,25,27).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide?
2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(4-cyanophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).