N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine

C20H22N4 — CID 59290842

IUPACN-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine
SMILESc1cncc(CN(c2ccc3cnccc3c2)C2CCNCC2)c1
InChIInChI=1S/C20H22N4/c1-2-16(13-22-8-1)15-24(19-6-10-21-11-7-19)20-4-3-18-14-23-9-5-17(18)12-20/h1-5,8-9,12-14,19,21H,6-7,10-11,15H2
InChIKeyHGZABYFUGBKALO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.39
Rot. Bonds4

About N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine

N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine (PubChem CID 59290842) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine
PubChem CID59290842
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine
SMILESc1cncc(CN(c2ccc3cnccc3c2)C2CCNCC2)c1
InChIInChI=1S/C20H22N4/c1-2-16(13-22-8-1)15-24(19-6-10-21-11-7-19)20-4-3-18-14-23-9-5-17(18)12-20/h1-5,8-9,12-14,19,21H,6-7,10-11,15H2
InChIKeyHGZABYFUGBKALO-UHFFFAOYSA-N
XLogP3.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine
CID 143113276
N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine;N-(cyclopropylmethyl)-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 158216274
6-(cyclopropylmethoxy)-5-(difluoromethoxy)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 11226128
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
6-chloro-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-1-(pyridin-3-ylmethyl)quinolin-2-one
CID 22348215
N-[(3-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;2,2,2-trifluoroacetic acid
CID 66650544
6-(pyridin-3-ylmethylsulfanylmethyl)isoquinoline
CID 166359977
6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 122047885
N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylisoquinolin-6-amine
CID 59290714
N-(1-benzothiophen-5-yl)-N-(naphthalen-2-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 66650238
N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142217884
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine?
The IUPAC name of N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine (CID 59290842) is N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine.
What is the SMILES notation for N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine?
The canonical SMILES for N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine is c1cncc(CN(c2ccc3cnccc3c2)C2CCNCC2)c1.
What is the InChIKey of N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine?
The InChIKey is HGZABYFUGBKALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-16(13-22-8-1)15-24(19-6-10-21-11-7-19)20-4-3-18-14-23-9-5-17(18)12-20/h1-5,8-9,12-14,19,21H,6-7,10-11,15H2.
What are the key properties of N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine?
N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine has a molecular weight of 318.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine is sourced from PubChem (CID 59290842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).