N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C26H23ClN6O — CID 134178464

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cccnc12
InChIInChI=1S/C26H23ClN6O/c1-15-8-24(28)32-16(2)20(15)12-31-26(34)21-14-33(23-4-3-7-29-25(21)23)13-17-5-6-22-18(9-17)10-19(27)11-30-22/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34)
InChIKeyKDELRJSGFBTOGO-UHFFFAOYSA-N
MW470.96 g/mol
LogP4.81
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 134178464) has the molecular formula C26H23ClN6O and a molecular weight of 470.96 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID134178464
Molecular FormulaC26H23ClN6O
Molecular Weight470.96 g/mol
Exact Mass470.16
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cccnc12
InChIInChI=1S/C26H23ClN6O/c1-15-8-24(28)32-16(2)20(15)12-31-26(34)21-14-33(23-4-3-7-29-25(21)23)13-17-5-6-22-18(9-17)10-19(27)11-30-22/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34)
InChIKeyKDELRJSGFBTOGO-UHFFFAOYSA-N
XLogP4.81
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-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

N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
N-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 156019968
6'-Chloro-1,4-Dimethyl-5'-(2-Methyl-6-{[4-(Methylamino)pyrimidin-2-Yl]amino}-1h-Indol-1-Yl)-3,3'-Bipyridin-2(1h)-One
CID 121005805
4-amino-2,6-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
CID 53326216
5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
6-chloro-N-[4-({[8-methyl-2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]nicotinamide
CID 25027105
5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393819
5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393887
6-(2-chlorophenyl)-2-[(1-methyl-1,2,3,4-tetrahydroquinolin-7-yl)amino]imidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-one
CID 60168684
7-(2-Chlorophenyl)-12-[4-(1-methylpiperidin-4-yl)anilino]-2,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-one
CID 68195086
6-chloro-2-ethyl-N-[(1-methylindol-5-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234936
N-(4-(4-(7-Chloroquinolin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 73671367

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 134178464) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cccnc12.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is KDELRJSGFBTOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O/c1-15-8-24(28)32-16(2)20(15)12-31-26(34)21-14-33(23-4-3-7-29-25(21)23)13-17-5-6-22-18(9-17)10-19(27)11-30-22/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 470.96 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 134178464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).