N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide

C16H20N4O — CID 62841224

IUPACN-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C16H20N4O/c1-3-8-17-15-7-5-4-6-14(15)16(21)20-11-13-10-18-12(2)9-19-13/h4-7,9-10,17H,3,8,11H2,1-2H3,(H,20,21)
InChIKeyVIDRRBSRAIWYCN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide

N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide (PubChem CID 62841224) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide
PubChem CID62841224
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C16H20N4O/c1-3-8-17-15-7-5-4-6-14(15)16(21)20-11-13-10-18-12(2)9-19-13/h4-7,9-10,17H,3,8,11H2,1-2H3,(H,20,21)
InChIKeyVIDRRBSRAIWYCN-UHFFFAOYSA-N
XLogP2.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
N-[(5-methylpyrazin-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641173
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)benzamide
CID 62177273
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide
CID 168579862
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665607
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide (CID 62841224) is N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCc1cnc(C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide?
The InChIKey is VIDRRBSRAIWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-8-17-15-7-5-4-6-14(15)16(21)20-11-13-10-18-12(2)9-19-13/h4-7,9-10,17H,3,8,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide?
N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide is sourced from PubChem (CID 62841224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).