N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide

C20H17N5O2 — CID 109269736

IUPACN-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1Nc1ncc(C(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C20H17N5O2/c1-2-27-18-10-6-5-9-17(18)25-20-22-12-15(13-23-20)19(26)24-16-8-4-3-7-14(16)11-21/h3-10,12-13H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyMKKZFKSUHUEJPO-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.74
Rot. Bonds6

About N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide

N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109269736) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109269736
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1Nc1ncc(C(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C20H17N5O2/c1-2-27-18-10-6-5-9-17(18)25-20-22-12-15(13-23-20)19(26)24-16-8-4-3-7-14(16)11-21/h3-10,12-13H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyMKKZFKSUHUEJPO-UHFFFAOYSA-N
XLogP3.74
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
ethyl 4-[[2-(2-cyanoanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270511
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109266635
2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109268970
2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178127
N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269742
N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248810
2-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440
N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267994

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide (CID 109269736) is N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide is CCOc1ccccc1Nc1ncc(C(=O)Nc2ccccc2C#N)cn1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is MKKZFKSUHUEJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-18-10-6-5-9-17(18)25-20-22-12-15(13-23-20)19(26)24-16-8-4-3-7-14(16)11-21/h3-10,12-13H,2H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide?
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).