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

C19H15N5O2 — CID 109317646

IUPACN-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3ccc(C#N)cc3)n2)c1
InChIInChI=1S/C19H15N5O2/c1-26-16-4-2-3-15(11-16)23-19-21-10-9-17(24-19)18(25)22-14-7-5-13(12-20)6-8-14/h2-11H,1H3,(H,22,25)(H,21,23,24)
InChIKeyLUDUWVUQHBABKS-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.35
Rot. Bonds5

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

N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109317646) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109317646
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3ccc(C#N)cc3)n2)c1
InChIInChI=1S/C19H15N5O2/c1-26-16-4-2-3-15(11-16)23-19-21-10-9-17(24-19)18(25)22-14-7-5-13(12-20)6-8-14/h2-11H,1H3,(H,22,25)(H,21,23,24)
InChIKeyLUDUWVUQHBABKS-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-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318088
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109318102
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109318737
2-(3-cyanoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317597
2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317672
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317549
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109317646) is N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2nccc(C(=O)Nc3ccc(C#N)cc3)n2)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is LUDUWVUQHBABKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-16-4-2-3-15(11-16)23-19-21-10-9-17(24-19)18(25)22-14-7-5-13(12-20)6-8-14/h2-11H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-2-(3-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-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).