N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide

C17H16N4O — CID 162746574

IUPACN-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide
SMILESCNc1ccnc(N(C(C)=O)c2ccc3cnccc3c2)c1
InChIInChI=1S/C17H16N4O/c1-12(22)21(17-10-15(18-2)6-8-20-17)16-4-3-14-11-19-7-5-13(14)9-16/h3-11H,1-2H3,(H,18,20)
InChIKeyCYCWNJGJWFVPMJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.36
Rot. Bonds3

About N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide

N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide (PubChem CID 162746574) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide
PubChem CID162746574
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide
SMILESCNc1ccnc(N(C(C)=O)c2ccc3cnccc3c2)c1
InChIInChI=1S/C17H16N4O/c1-12(22)21(17-10-15(18-2)6-8-20-17)16-4-3-14-11-19-7-5-13(14)9-16/h3-11H,1-2H3,(H,18,20)
InChIKeyCYCWNJGJWFVPMJ-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide?
The IUPAC name of N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide (CID 162746574) is N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide is CNc1ccnc(N(C(C)=O)c2ccc3cnccc3c2)c1.
What is the InChIKey of N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide?
The InChIKey is CYCWNJGJWFVPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12(22)21(17-10-15(18-2)6-8-20-17)16-4-3-14-11-19-7-5-13(14)9-16/h3-11H,1-2H3,(H,18,20).
What are the key properties of N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide?
N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 162746574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).