N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide

C23H21N5O — CID 109200554

IUPACN-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C23H21N5O/c1-28(2)19-11-8-17(9-12-19)27-23(29)21-13-10-18(15-25-21)26-20-7-3-5-16-6-4-14-24-22(16)20/h3-15,26H,1-2H3,(H,27,29)
InChIKeyMGQFFFRUXSBIFF-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.69
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide

N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide (PubChem CID 109200554) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide
PubChem CID109200554
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C23H21N5O/c1-28(2)19-11-8-17(9-12-19)27-23(29)21-13-10-18(15-25-21)26-20-7-3-5-16-6-4-14-24-22(16)20/h3-15,26H,1-2H3,(H,27,29)
InChIKeyMGQFFFRUXSBIFF-UHFFFAOYSA-N
XLogP4.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109198241
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694
N-(2,6-difluorophenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200781
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
N-(5-methyl-1,2-oxazol-3-yl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200783
N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109180787
N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109196007
5-(cyclopropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180200
N-[4-(quinolin-8-ylamino)phenyl]pyridine-3-carboxamide
CID 112989314
5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365
5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109200730
methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
CID 112989327

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide (CID 109200554) is N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(Nc3cccc4cccnc34)cn2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
The InChIKey is MGQFFFRUXSBIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-28(2)19-11-8-17(9-12-19)27-23(29)21-13-10-18(15-25-21)26-20-7-3-5-16-6-4-14-24-22(16)20/h3-15,26H,1-2H3,(H,27,29).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109200554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).