N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide

C25H23N5O — CID 171501600

IUPACN-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide
SMILESNc1ccc2ccc(CN(C(=O)c3cccnc3)[C@@H]3CCCc4cccnc43)cc2n1
InChIInChI=1S/C25H23N5O/c26-23-11-10-18-9-8-17(14-21(18)29-23)16-30(25(31)20-6-2-12-27-15-20)22-7-1-4-19-5-3-13-28-24(19)22/h2-3,5-6,8-15,22H,1,4,7,16H2,(H2,26,29)/t22-/m1/s1
InChIKeyNQJLMDGUCJBNSH-JOCHJYFZSA-N
MW409.49 g/mol
LogP4.33
Rot. Bonds4

About N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide

N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide (PubChem CID 171501600) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide
PubChem CID171501600
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide
SMILESNc1ccc2ccc(CN(C(=O)c3cccnc3)[C@@H]3CCCc4cccnc43)cc2n1
InChIInChI=1S/C25H23N5O/c26-23-11-10-18-9-8-17(14-21(18)29-23)16-30(25(31)20-6-2-12-27-15-20)22-7-1-4-19-5-3-13-28-24(19)22/h2-3,5-6,8-15,22H,1,4,7,16H2,(H2,26,29)/t22-/m1/s1
InChIKeyNQJLMDGUCJBNSH-JOCHJYFZSA-N
XLogP4.33
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501060
N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
CID 22256455
N-[(2-aminoquinolin-7-yl)methyl]-N-(1,3-benzothiazol-7-yl)pyridine-3-carboxamide
CID 171502375
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501159
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-dimethylsulfinamoylphenyl)pyridine-3-carboxamide
CID 171501658
4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide
CID 100652315
N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide
CID 126807154
N-(5,6,7,8-tetrahydroquinolin-8-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 122138613
4-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide
CID 91226760
N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
CID 26363492
3-fluoro-N-(pyridin-4-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42697034
N'-(5,6,7,8-tetrahydroquinolin-8-yl)-N'-(5,6,7,8-tetrahydroquinolin-3-ylmethyl)butane-1,4-diamine
CID 69493718

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide (CID 171501600) is N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide is Nc1ccc2ccc(CN(C(=O)c3cccnc3)[C@@H]3CCCc4cccnc43)cc2n1.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide?
The InChIKey is NQJLMDGUCJBNSH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23N5O/c26-23-11-10-18-9-8-17(14-21(18)29-23)16-30(25(31)20-6-2-12-27-15-20)22-7-1-4-19-5-3-13-28-24(19)22/h2-3,5-6,8-15,22H,1,4,7,16H2,(H2,26,29)/t22-/m1/s1.
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide?
N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 171501600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).