N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide

C22H22N4O — CID 10133044

IUPACN-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide
SMILESO=C(Nc1ccccn1)c1ccc(CNC2CCCc3cccnc32)cc1
InChIInChI=1S/C22H22N4O/c27-22(26-20-8-1-2-13-23-20)18-11-9-16(10-12-18)15-25-19-7-3-5-17-6-4-14-24-21(17)19/h1-2,4,6,8-14,19,25H,3,5,7,15H2,(H,23,26,27)
InChIKeyONZNDVCWWMRLTQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.90
Rot. Bonds5

About N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide

N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide (PubChem CID 10133044) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide
PubChem CID10133044
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide
SMILESO=C(Nc1ccccn1)c1ccc(CNC2CCCc3cccnc32)cc1
InChIInChI=1S/C22H22N4O/c27-22(26-20-8-1-2-13-23-20)18-11-9-16(10-12-18)15-25-19-7-3-5-17-6-4-14-24-21(17)19/h1-2,4,6,8-14,19,25H,3,5,7,15H2,(H,23,26,27)
InChIKeyONZNDVCWWMRLTQ-UHFFFAOYSA-N
XLogP3.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-[[4-(2-methoxyphenyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142661060
N-[[4-[(1H-pyrazol-5-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142660743
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 71050435
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078877
N-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114185955
N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 59826223
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide
CID 71108386

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide?
The IUPAC name of N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide (CID 10133044) is N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide.
What is the SMILES notation for N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide?
The canonical SMILES for N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide is O=C(Nc1ccccn1)c1ccc(CNC2CCCc3cccnc32)cc1.
What is the InChIKey of N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide?
The InChIKey is ONZNDVCWWMRLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(26-20-8-1-2-13-23-20)18-11-9-16(10-12-18)15-25-19-7-3-5-17-6-4-14-24-21(17)19/h1-2,4,6,8-14,19,25H,3,5,7,15H2,(H,23,26,27).
What are the key properties of N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide?
N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide has a molecular weight of 358.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide is sourced from PubChem (CID 10133044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).