N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide

C21H15N5O2 — CID 118400864

IUPACN-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C21H15N5O2/c1-13-4-2-6-18(25-13)26-21(28)17-9-15(8-14-5-3-7-24-19(14)17)20(27)16-10-22-12-23-11-16/h2-12H,1H3,(H,25,26,28)
InChIKeyMDNZTYQRDWFDBJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.21
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide

N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide (PubChem CID 118400864) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
PubChem CID118400864
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC NameN-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C21H15N5O2/c1-13-4-2-6-18(25-13)26-21(28)17-9-15(8-14-5-3-7-24-19(14)17)20(27)16-10-22-12-23-11-16/h2-12H,1H3,(H,25,26,28)
InChIKeyMDNZTYQRDWFDBJ-UHFFFAOYSA-N
XLogP3.21
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide (CID 118400864) is N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide is Cc1cccc(NC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
The InChIKey is MDNZTYQRDWFDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-13-4-2-6-18(25-13)26-21(28)17-9-15(8-14-5-3-7-24-19(14)17)20(27)16-10-22-12-23-11-16/h2-12H,1H3,(H,25,26,28).
What are the key properties of N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide is sourced from PubChem (CID 118400864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).