N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide

C27H35N5O2 — CID 58496610

IUPACN-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide
SMILESCCCC(Cc1cncc(-c2ccc(CC(=O)NCCN(C)C)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C27H35N5O2/c1-5-7-20(23-8-6-11-28-17-23)14-24-18-29-19-25(31-24)21-9-10-22(26(15-21)34-4)16-27(33)30-12-13-32(2)3/h6,8-11,15,17-20H,5,7,12-14,16H2,1-4H3,(H,30,33)
InChIKeyFYXGSEWZUHABRV-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.89
Rot. Bonds12

About N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide

N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide (PubChem CID 58496610) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide
PubChem CID58496610
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide
SMILESCCCC(Cc1cncc(-c2ccc(CC(=O)NCCN(C)C)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C27H35N5O2/c1-5-7-20(23-8-6-11-28-17-23)14-24-18-29-19-25(31-24)21-9-10-22(26(15-21)34-4)16-27(33)30-12-13-32(2)3/h6,8-11,15,17-20H,5,7,12-14,16H2,1-4H3,(H,30,33)
InChIKeyFYXGSEWZUHABRV-UHFFFAOYSA-N
XLogP3.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide (CID 58496610) is N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide is CCCC(Cc1cncc(-c2ccc(CC(=O)NCCN(C)C)c(OC)c2)n1)c1cccnc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is FYXGSEWZUHABRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-5-7-20(23-8-6-11-28-17-23)14-24-18-29-19-25(31-24)21-9-10-22(26(15-21)34-4)16-27(33)30-12-13-32(2)3/h6,8-11,15,17-20H,5,7,12-14,16H2,1-4H3,(H,30,33).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 461.61 g/mol, XLogP of 3.89, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 58496610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).