N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide

C16H18N4O3 — CID 6498590

IUPACN-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1C(=O)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H18N4O3/c1-23-14-6-3-2-5-12(14)15(21)19-7-4-8-20-16(22)13-11-17-9-10-18-13/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyLKSVIPPUYNGUDD-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.04
Rot. Bonds7

About N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide

N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498590) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide
PubChem CID6498590
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1C(=O)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H18N4O3/c1-23-14-6-3-2-5-12(14)15(21)19-7-4-8-20-16(22)13-11-17-9-10-18-13/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyLKSVIPPUYNGUDD-UHFFFAOYSA-N
XLogP1.04
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyrazine-2-carboxylic acid 4-methoxy-benzylamide
CID 470910
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-methoxyphenyl)pyridine-2-carboxamide
CID 68187495
2-methoxy-N-pyridin-4-ylbenzamide
CID 814758
2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide
CID 2470424
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-{2-[(3-propoxybenzoyl)amino]ethyl}-2-pyridinecarboxamide
CID 2985341
N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2988566
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
CID 4881343
2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 4882693

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide (CID 6498590) is N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide is COc1ccccc1C(=O)NCCCNC(=O)c1cnccn1.
What is the InChIKey of N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is LKSVIPPUYNGUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-23-14-6-3-2-5-12(14)15(21)19-7-4-8-20-16(22)13-11-17-9-10-18-13/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide?
N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxybenzoyl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).