N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide

C30H34N6O — CID 22601324

IUPACN-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCc1ccnc(C)c1C(=O)NCc1ccc(CN(CCc2ncc[nH]2)C2CCCc3cccnc32)cc1
InChIInChI=1S/C30H34N6O/c1-21-12-15-31-22(2)28(21)30(37)35-19-23-8-10-24(11-9-23)20-36(18-13-27-32-16-17-33-27)26-7-3-5-25-6-4-14-34-29(25)26/h4,6,8-12,14-17,26H,3,5,7,13,18-20H2,1-2H3,(H,32,33)(H,35,37)
InChIKeyVHDYYTAQNSYVAA-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.87
Rot. Bonds9

About N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide

N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide (PubChem CID 22601324) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide
PubChem CID22601324
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC NameN-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCc1ccnc(C)c1C(=O)NCc1ccc(CN(CCc2ncc[nH]2)C2CCCc3cccnc32)cc1
InChIInChI=1S/C30H34N6O/c1-21-12-15-31-22(2)28(21)30(37)35-19-23-8-10-24(11-9-23)20-36(18-13-27-32-16-17-33-27)26-7-3-5-25-6-4-14-34-29(25)26/h4,6,8-12,14-17,26H,3,5,7,13,18-20H2,1-2H3,(H,32,33)(H,35,37)
InChIKeyVHDYYTAQNSYVAA-UHFFFAOYSA-N
XLogP4.87
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[[3-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide
CID 22601404
2,4-dimethyl-N-[[4-[[5,6,7,8-tetrahydroquinolin-8-yl-[2-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 22601310
2,4-dimethyl-N-[[4-[[2-(1,3-oxazol-5-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 22601488
2,4-dimethyl-N-[[4-[[5,6,7,8-tetrahydroquinolin-8-yl-[2-(1,3-thiazol-5-yl)ethyl]amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 22601477
3,5-dichloro-N-[[4-[[(5-methyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 10208892
3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 10280786
3,5-dichloro-N-[[4-[[(5-methyl-1,3-oxazol-2-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 68898250
3-chloro-N-[[4-[[2-(2-methyl-1,3-oxazol-5-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 150877709
3-chloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 151581798
3,5-dichloro-N-[[3-[[1H-pyrrol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 91046567
4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide
CID 91226760
2-chloro-N-[[4-[[3H-pyrrol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 174403500

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide (CID 22601324) is N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide is Cc1ccnc(C)c1C(=O)NCc1ccc(CN(CCc2ncc[nH]2)C2CCCc3cccnc32)cc1.
What is the InChIKey of N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is VHDYYTAQNSYVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c1-21-12-15-31-22(2)28(21)30(37)35-19-23-8-10-24(11-9-23)20-36(18-13-27-32-16-17-33-27)26-7-3-5-25-6-4-14-34-29(25)26/h4,6,8-12,14-17,26H,3,5,7,13,18-20H2,1-2H3,(H,32,33)(H,35,37).
What are the key properties of N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide?
N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 22601324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).