N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

C20H17N5O2 — CID 109258170

IUPACN-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)Nc3cccc(C#N)c3)cn2)cc1
InChIInChI=1S/C20H17N5O2/c1-27-18-7-5-14(6-8-18)11-22-20-23-12-16(13-24-20)19(26)25-17-4-2-3-15(9-17)10-21/h2-9,12-13H,11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyFLZFUXUJDJHUBQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.22
Rot. Bonds6

About N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109258170) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109258170
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)Nc3cccc(C#N)c3)cn2)cc1
InChIInChI=1S/C20H17N5O2/c1-27-18-7-5-14(6-8-18)11-22-20-23-12-16(13-24-20)19(26)25-17-4-2-3-15(9-17)10-21/h2-9,12-13H,11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyFLZFUXUJDJHUBQ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157383
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256337
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
CID 109267799
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 109258170) is N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is COc1ccc(CNc2ncc(C(=O)Nc3cccc(C#N)c3)cn2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is FLZFUXUJDJHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-18-7-5-14(6-8-18)11-22-20-23-12-16(13-24-20)19(26)25-17-4-2-3-15(9-17)10-21/h2-9,12-13H,11H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109258170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).