2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

C19H21N5O — CID 109311825

IUPAC2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCC(C)CCNc1nccc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C19H21N5O/c1-13(2)8-11-21-19-22-12-9-16(24-19)18(25)23-15-7-3-5-14-6-4-10-20-17(14)15/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyOQUCKHNWPFZQAH-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.74
Rot. Bonds6

About 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109311825) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109311825
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCC(C)CCNc1nccc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C19H21N5O/c1-13(2)8-11-21-19-22-12-9-16(24-19)18(25)23-15-7-3-5-14-6-4-10-20-17(14)15/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyOQUCKHNWPFZQAH-UHFFFAOYSA-N
XLogP3.74
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311775
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489
2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311831
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311806
5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109273088

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109311825) is 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is CC(C)CCNc1nccc(C(=O)Nc2cccc3cccnc23)n1.
What is the InChIKey of 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is OQUCKHNWPFZQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(2)8-11-21-19-22-12-9-16(24-19)18(25)23-15-7-3-5-14-6-4-10-20-17(14)15/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109311825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).