N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide

C23H19Cl2N5O — CID 118665134

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C23H19Cl2N5O/c1-13-16(2-3-21(26)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(24)12-28-22(17)20(25)8-14/h2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31)
InChIKeyLGBIYJSQIIGQJI-UHFFFAOYSA-N
MW452.35 g/mol
LogP4.74
Rot. Bonds5

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665134) has the molecular formula C23H19Cl2N5O and a molecular weight of 452.35 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118665134
Molecular FormulaC23H19Cl2N5O
Molecular Weight452.35 g/mol
Exact Mass451.10
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C23H19Cl2N5O/c1-13-16(2-3-21(26)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(24)12-28-22(17)20(25)8-14/h2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31)
InChIKeyLGBIYJSQIIGQJI-UHFFFAOYSA-N
XLogP4.74
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.35
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

VX-984
CID 72188357
2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
N-(2-aminoethyl)-5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57877024
6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59436001
6-[(2-Chloro-4,6-difluorophenyl)amino]pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436049
6-(2,6-dichloro-4-fluoroanilino)-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
CID 59436062
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
3-Pyridinecarboxamide, 6-chloro-N-[4-[[[2-(methylamino)-4-quinazolinyl]amino]methyl]phenyl]-
CID 25025509
2-Chloro-N-[4-({[2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]isonicotinamide
CID 25025510
6-chloro-N-[4-({[8-methyl-2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]nicotinamide
CID 25027105

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665134) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(Cl)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is LGBIYJSQIIGQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O/c1-13-16(2-3-21(26)30-13)11-29-23(31)15-4-5-27-19(10-15)7-14-6-17-9-18(24)12-28-22(17)20(25)8-14/h2-6,8-10,12H,7,11H2,1H3,(H2,26,30)(H,29,31).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 452.35 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3,8-dichloroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).