5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide

C20H21N5O2 — CID 59730314

IUPAC5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
SMILESCc1cc(CNCCc2cccnc2)ccc1Oc1cnc(C(N)=O)cn1
InChIInChI=1S/C20H21N5O2/c1-14-9-16(11-23-8-6-15-3-2-7-22-10-15)4-5-18(14)27-19-13-24-17(12-25-19)20(21)26/h2-5,7,9-10,12-13,23H,6,8,11H2,1H3,(H2,21,26)
InChIKeyCXEPIKLQTBCQTC-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.40
Rot. Bonds8

About 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide

5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide (PubChem CID 59730314) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
PubChem CID59730314
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
SMILESCc1cc(CNCCc2cccnc2)ccc1Oc1cnc(C(N)=O)cn1
InChIInChI=1S/C20H21N5O2/c1-14-9-16(11-23-8-6-15-3-2-7-22-10-15)4-5-18(14)27-19-13-24-17(12-25-19)20(21)26/h2-5,7,9-10,12-13,23H,6,8,11H2,1H3,(H2,21,26)
InChIKeyCXEPIKLQTBCQTC-UHFFFAOYSA-N
XLogP2.40
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730219
5-[2-fluoro-4-[(hexylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730293
5-[2-methyl-4-[(octylamino)methyl]phenoxy]pyridine-2-carboxamide
CID 142876363
N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine
CID 86984400
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide
CID 59730229
pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)
CID 122691217
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 89232249
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
6-[2-methyl-4-[2-[(5-methylidenecyclohex-3-en-1-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 89168291

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide?
The IUPAC name of 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide (CID 59730314) is 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide is Cc1cc(CNCCc2cccnc2)ccc1Oc1cnc(C(N)=O)cn1.
What is the InChIKey of 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide?
The InChIKey is CXEPIKLQTBCQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-9-16(11-23-8-6-15-3-2-7-22-10-15)4-5-18(14)27-19-13-24-17(12-25-19)20(21)26/h2-5,7,9-10,12-13,23H,6,8,11H2,1H3,(H2,21,26).
What are the key properties of 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide?
5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 59730314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).