N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide

C19H15N5O2 — CID 109317549

IUPACN-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C19H15N5O2/c1-26-17-8-3-2-7-15(17)23-19-21-10-9-16(24-19)18(25)22-14-6-4-5-13(11-14)12-20/h2-11H,1H3,(H,22,25)(H,21,23,24)
InChIKeyVTTXDYOJQHAPJJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.35
Rot. Bonds5

About N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide

N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109317549) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109317549
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C19H15N5O2/c1-26-17-8-3-2-7-15(17)23-19-21-10-9-16(24-19)18(25)22-14-6-4-5-13(11-14)12-20/h2-11H,1H3,(H,22,25)(H,21,23,24)
InChIKeyVTTXDYOJQHAPJJ-UHFFFAOYSA-N
XLogP3.35
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyanoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317597
N-(3-cyanophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314747
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306327
N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317442
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646
N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109318587
N-(3-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316121
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109318102
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide (CID 109317549) is N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide is COc1ccccc1Nc1nccc(C(=O)Nc2cccc(C#N)c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is VTTXDYOJQHAPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-17-8-3-2-7-15(17)23-19-21-10-9-16(24-19)18(25)22-14-6-4-5-13(11-14)12-20/h2-11H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).