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

C30H34N6O — CID 22601404

IUPACN-[[3-[[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)NCc1cccc(CN(CCc2ncc[nH]2)C2CCCc3cccnc32)c1
InChIInChI=1S/C30H34N6O/c1-21-11-14-31-22(2)28(21)30(37)35-19-23-6-3-7-24(18-23)20-36(17-12-27-32-15-16-33-27)26-10-4-8-25-9-5-13-34-29(25)26/h3,5-7,9,11,13-16,18,26H,4,8,10,12,17,19-20H2,1-2H3,(H,32,33)(H,35,37)
InChIKeyPHSHMOMSMQGVSH-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.87
Rot. Bonds9

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

N-[[3-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide (PubChem CID 22601404) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[[3-[[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-[[3-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide
PubChem CID22601404
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC NameN-[[3-[[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)NCc1cccc(CN(CCc2ncc[nH]2)C2CCCc3cccnc32)c1
InChIInChI=1S/C30H34N6O/c1-21-11-14-31-22(2)28(21)30(37)35-19-23-6-3-7-24(18-23)20-36(17-12-27-32-15-16-33-27)26-10-4-8-25-9-5-13-34-29(25)26/h3,5-7,9,11,13-16,18,26H,4,8,10,12,17,19-20H2,1-2H3,(H,32,33)(H,35,37)
InChIKeyPHSHMOMSMQGVSH-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-[[3-[[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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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[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-[[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) is N-[[3-[[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-[[3-[[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-[[3-[[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)NCc1cccc(CN(CCc2ncc[nH]2)C2CCCc3cccnc32)c1.
What is the InChIKey of N-[[3-[[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 PHSHMOMSMQGVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c1-21-11-14-31-22(2)28(21)30(37)35-19-23-6-3-7-24(18-23)20-36(17-12-27-32-15-16-33-27)26-10-4-8-25-9-5-13-34-29(25)26/h3,5-7,9,11,13-16,18,26H,4,8,10,12,17,19-20H2,1-2H3,(H,32,33)(H,35,37).
What are the key properties of N-[[3-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide?
N-[[3-[[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-[[3-[[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 22601404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).