N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide

C14H16N4O — CID 134713732

IUPACN-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide
SMILESCc1cccc(NC(=O)CCNc2cnccn2)c1
InChIInChI=1S/C14H16N4O/c1-11-3-2-4-12(9-11)18-14(19)5-6-16-13-10-15-7-8-17-13/h2-4,7-10H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGFCHLRMGOCHYLY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.23
Rot. Bonds5

About N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide

N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide (PubChem CID 134713732) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide
PubChem CID134713732
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide
SMILESCc1cccc(NC(=O)CCNc2cnccn2)c1
InChIInChI=1S/C14H16N4O/c1-11-3-2-4-12(9-11)18-14(19)5-6-16-13-10-15-7-8-17-13/h2-4,7-10H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGFCHLRMGOCHYLY-UHFFFAOYSA-N
XLogP2.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
CID 131927376
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
N-isoquinolin-6-yl-2-(3-methylanilino)acetamide
CID 59857964
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide?
The IUPAC name of N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide (CID 134713732) is N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide is Cc1cccc(NC(=O)CCNc2cnccn2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide?
The InChIKey is GFCHLRMGOCHYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11-3-2-4-12(9-11)18-14(19)5-6-16-13-10-15-7-8-17-13/h2-4,7-10H,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide?
N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide has a molecular weight of 256.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide is sourced from PubChem (CID 134713732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).