N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide

C20H17N5O3 — CID 109269995

IUPACN-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3ccc(C#N)cc3)cn2)cc1OC
InChIInChI=1S/C20H17N5O3/c1-27-17-8-7-16(9-18(17)28-2)25-20-22-11-14(12-23-20)19(26)24-15-5-3-13(10-21)4-6-15/h3-9,11-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyLYFFVSYIFHXYOE-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.36
Rot. Bonds6

About N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide

N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109269995) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109269995
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3ccc(C#N)cc3)cn2)cc1OC
InChIInChI=1S/C20H17N5O3/c1-27-17-8-7-16(9-18(17)28-2)25-20-22-11-14(12-23-20)19(26)24-15-5-3-13(10-21)4-6-15/h3-9,11-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyLYFFVSYIFHXYOE-UHFFFAOYSA-N
XLogP3.36
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318088
2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109270091
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109267530
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267979
2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109269822
methyl 2-[[5-[(4-cyanophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270211
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109318102
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide (CID 109269995) is N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide is COc1ccc(Nc2ncc(C(=O)Nc3ccc(C#N)cc3)cn2)cc1OC.
What is the InChIKey of N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is LYFFVSYIFHXYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-17-8-7-16(9-18(17)28-2)25-20-22-11-14(12-23-20)19(26)24-15-5-3-13(10-21)4-6-15/h3-9,11-12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide?
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).