N-benzyl-3-(pyrazin-2-ylamino)benzamide

C18H16N4O — CID 117091377

IUPACN-benzyl-3-(pyrazin-2-ylamino)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(Nc2cnccn2)c1
InChIInChI=1S/C18H16N4O/c23-18(21-12-14-5-2-1-3-6-14)15-7-4-8-16(11-15)22-17-13-19-9-10-20-17/h1-11,13H,12H2,(H,20,22)(H,21,23)
InChIKeyODCZQOHAIZEYTQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.15
Rot. Bonds5

About N-benzyl-3-(pyrazin-2-ylamino)benzamide

N-benzyl-3-(pyrazin-2-ylamino)benzamide (PubChem CID 117091377) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-benzyl-3-(pyrazin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(pyrazin-2-ylamino)benzamide
PubChem CID117091377
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-benzyl-3-(pyrazin-2-ylamino)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(Nc2cnccn2)c1
InChIInChI=1S/C18H16N4O/c23-18(21-12-14-5-2-1-3-6-14)15-7-4-8-16(11-15)22-17-13-19-9-10-20-17/h1-11,13H,12H2,(H,20,22)(H,21,23)
InChIKeyODCZQOHAIZEYTQ-UHFFFAOYSA-N
XLogP3.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide
CID 117092864
N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
CID 109255341
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 108797154
N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide
CID 22425545
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
CID 32919336
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(pyrazin-2-ylamino)benzamide?
The IUPAC name of N-benzyl-3-(pyrazin-2-ylamino)benzamide (CID 117091377) is N-benzyl-3-(pyrazin-2-ylamino)benzamide.
What is the SMILES notation for N-benzyl-3-(pyrazin-2-ylamino)benzamide?
The canonical SMILES for N-benzyl-3-(pyrazin-2-ylamino)benzamide is O=C(NCc1ccccc1)c1cccc(Nc2cnccn2)c1.
What is the InChIKey of N-benzyl-3-(pyrazin-2-ylamino)benzamide?
The InChIKey is ODCZQOHAIZEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(21-12-14-5-2-1-3-6-14)15-7-4-8-16(11-15)22-17-13-19-9-10-20-17/h1-11,13H,12H2,(H,20,22)(H,21,23).
What are the key properties of N-benzyl-3-(pyrazin-2-ylamino)benzamide?
N-benzyl-3-(pyrazin-2-ylamino)benzamide has a molecular weight of 304.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(pyrazin-2-ylamino)benzamide is sourced from PubChem (CID 117091377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).