3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide

C21H23N5O2 — CID 47031577

IUPAC3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCCNc2cnccn2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H23N5O2/c1-15-10-18(21(27)26-9-8-25-19-13-23-6-7-24-19)11-16(2)20(15)28-14-17-4-3-5-22-12-17/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyRZPYQDAGNVQOMX-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.91
Rot. Bonds8

About 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide

3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 47031577) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID47031577
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCCNc2cnccn2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C21H23N5O2/c1-15-10-18(21(27)26-9-8-25-19-13-23-6-7-24-19)11-16(2)20(15)28-14-17-4-3-5-22-12-17/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyRZPYQDAGNVQOMX-UHFFFAOYSA-N
XLogP2.91
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.91
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

3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-[3-[4-(dimethylamino)phenyl]propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46453709
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119537303
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56544237
N-[3-(furan-2-ylmethoxy)propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55853611
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 47031577) is 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)NCCNc2cnccn2)cc(C)c1OCc1cccnc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is RZPYQDAGNVQOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-10-18(21(27)26-9-8-25-19-13-23-6-7-24-19)11-16(2)20(15)28-14-17-4-3-5-22-12-17/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 47031577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).