methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate

C24H29N5O3 — CID 163390471

IUPACmethyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
SMILESCOC(=O)Nc1nccc2cc(NCc3ccnc(OCC4CCN(C)CC4)c3)ccc12
InChIInChI=1S/C24H29N5O3/c1-29-11-7-17(8-12-29)16-32-22-13-18(5-9-25-22)15-27-20-3-4-21-19(14-20)6-10-26-23(21)28-24(30)31-2/h3-6,9-10,13-14,17,27H,7-8,11-12,15-16H2,1-2H3,(H,26,28,30)
InChIKeyGVUOXHMPRWUUSG-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.14
Rot. Bonds7

About methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate

methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate (PubChem CID 163390471) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
PubChem CID163390471
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Namemethyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
SMILESCOC(=O)Nc1nccc2cc(NCc3ccnc(OCC4CCN(C)CC4)c3)ccc12
InChIInChI=1S/C24H29N5O3/c1-29-11-7-17(8-12-29)16-32-22-13-18(5-9-25-22)15-27-20-3-4-21-19(14-20)6-10-26-23(21)28-24(30)31-2/h3-6,9-10,13-14,17,27H,7-8,11-12,15-16H2,1-2H3,(H,26,28,30)
InChIKeyGVUOXHMPRWUUSG-UHFFFAOYSA-N
XLogP4.14
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate?
The IUPAC name of methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate (CID 163390471) is methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate.
What is the SMILES notation for methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate?
The canonical SMILES for methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate is COC(=O)Nc1nccc2cc(NCc3ccnc(OCC4CCN(C)CC4)c3)ccc12.
What is the InChIKey of methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate?
The InChIKey is GVUOXHMPRWUUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-29-11-7-17(8-12-29)16-32-22-13-18(5-9-25-22)15-27-20-3-4-21-19(14-20)6-10-26-23(21)28-24(30)31-2/h3-6,9-10,13-14,17,27H,7-8,11-12,15-16H2,1-2H3,(H,26,28,30).
What are the key properties of methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate?
methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate has a molecular weight of 435.53 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate is sourced from PubChem (CID 163390471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).