1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide

C24H29N5O2 — CID 154946218

IUPAC1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)CCN(CCNC(=O)C1CCN(c3ccc(C#N)cn3)CC1)C2
InChIInChI=1S/C24H29N5O2/c1-31-22-4-3-21-17-28(10-6-20(21)14-22)13-9-26-24(30)19-7-11-29(12-8-19)23-5-2-18(15-25)16-27-23/h2-5,14,16,19H,6-13,17H2,1H3,(H,26,30)
InChIKeyZKDIVHRFNRWFJK-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.35
Rot. Bonds6

About 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 154946218) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID154946218
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)CCN(CCNC(=O)C1CCN(c3ccc(C#N)cn3)CC1)C2
InChIInChI=1S/C24H29N5O2/c1-31-22-4-3-21-17-28(10-6-20(21)14-22)13-9-26-24(30)19-7-11-29(12-8-19)23-5-2-18(15-25)16-27-23/h2-5,14,16,19H,6-13,17H2,1H3,(H,26,30)
InChIKeyZKDIVHRFNRWFJK-UHFFFAOYSA-N
XLogP2.35
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide (CID 154946218) is 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide is COc1ccc2c(c1)CCN(CCNC(=O)C1CCN(c3ccc(C#N)cn3)CC1)C2.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is ZKDIVHRFNRWFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-31-22-4-3-21-17-28(10-6-20(21)14-22)13-9-26-24(30)19-7-11-29(12-8-19)23-5-2-18(15-25)16-27-23/h2-5,14,16,19H,6-13,17H2,1H3,(H,26,30).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 154946218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).