N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide

C28H31N7O — CID 163554400

IUPACN-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2ccc3c(n2)N(Cc2ccc4ncccc4c2)N(C)N3)cc1
InChIInChI=1S/C28H31N7O/c1-33(2)17-5-16-30-28(36)22-10-8-21(9-11-22)25-13-14-26-27(31-25)35(34(3)32-26)19-20-7-12-24-23(18-20)6-4-15-29-24/h4,6-15,18,32H,5,16-17,19H2,1-3H3,(H,30,36)
InChIKeyFLTVQMROOOREHK-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.17
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide

N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide (PubChem CID 163554400) has the molecular formula C28H31N7O and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide
PubChem CID163554400
Molecular FormulaC28H31N7O
Molecular Weight481.60 g/mol
Exact Mass481.26
IUPAC NameN-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2ccc3c(n2)N(Cc2ccc4ncccc4c2)N(C)N3)cc1
InChIInChI=1S/C28H31N7O/c1-33(2)17-5-16-30-28(36)22-10-8-21(9-11-22)25-13-14-26-27(31-25)35(34(3)32-26)19-20-7-12-24-23(18-20)6-4-15-29-24/h4,6-15,18,32H,5,16-17,19H2,1-3H3,(H,30,36)
InChIKeyFLTVQMROOOREHK-UHFFFAOYSA-N
XLogP4.17
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(dimethylamino)propyl]-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzamide
CID 71767481
N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide
CID 143578589
N-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 54670238
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
N-octylquinoline-6-carboxamide
CID 68863650
2-fluoro-N-(2-methylpropyl)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123849268
N-ethyl-6-quinolin-6-ylpyridine-3-carboxamide
CID 50955108
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 138674427
N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 158758339

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide (CID 163554400) is N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide is CN(C)CCCNC(=O)c1ccc(-c2ccc3c(n2)N(Cc2ccc4ncccc4c2)N(C)N3)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide?
The InChIKey is FLTVQMROOOREHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O/c1-33(2)17-5-16-30-28(36)22-10-8-21(9-11-22)25-13-14-26-27(31-25)35(34(3)32-26)19-20-7-12-24-23(18-20)6-4-15-29-24/h4,6-15,18,32H,5,16-17,19H2,1-3H3,(H,30,36).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide?
N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide has a molecular weight of 481.60 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[2-methyl-3-(quinolin-6-ylmethyl)-1H-triazolo[4,5-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 163554400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).