2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide

C21H17N5O — CID 109314256

IUPAC2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nccc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C21H17N5O/c1-26(16-9-3-2-4-10-16)21-23-14-12-18(25-21)20(27)24-17-11-5-7-15-8-6-13-22-19(15)17/h2-14H,1H3,(H,24,27)
InChIKeyZPRYTLILJCGOLQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.05
Rot. Bonds4

About 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide

2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109314256) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109314256
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nccc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C21H17N5O/c1-26(16-9-3-2-4-10-16)21-23-14-12-18(25-21)20(27)24-17-11-5-7-15-8-6-13-22-19(15)17/h2-14H,1H3,(H,24,27)
InChIKeyZPRYTLILJCGOLQ-UHFFFAOYSA-N
XLogP4.05
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314197
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314210
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
CID 109057063
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
6-N,6-N-diethyl-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109099049
2-N-[2-(dimethylamino)ethyl]-6-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109096405
N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314273
2-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314201
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109314256) is 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide is CN(c1ccccc1)c1nccc(C(=O)Nc2cccc3cccnc23)n1.
What is the InChIKey of 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is ZPRYTLILJCGOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-26(16-9-3-2-4-10-16)21-23-14-12-18(25-21)20(27)24-17-11-5-7-15-8-6-13-22-19(15)17/h2-14H,1H3,(H,24,27).
What are the key properties of 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109314256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).