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

C16H17ClN4O3 — CID 6498596

IUPACN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H17ClN4O3/c17-12-4-1-2-5-14(12)24-11-15(22)20-6-3-7-21-16(23)13-10-18-8-9-19-13/h1-2,4-5,8-10H,3,6-7,11H2,(H,20,22)(H,21,23)
InChIKeyHIGNMVAEXNRRNB-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.45
Rot. Bonds8

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

N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498596) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
PubChem CID6498596
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H17ClN4O3/c17-12-4-1-2-5-14(12)24-11-15(22)20-6-3-7-21-16(23)13-10-18-8-9-19-13/h1-2,4-5,8-10H,3,6-7,11H2,(H,20,22)(H,21,23)
InChIKeyHIGNMVAEXNRRNB-UHFFFAOYSA-N
XLogP1.45
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.45
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

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2988519
Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)-6-methylpyridine-3-carboxamide
CID 6498630
3-[[2-[4-(2-Chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]pyrazine-2-carboxamide
CID 44425944
N-(3-{[(2,4-dichlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498608
3-[[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-methylpyrazine-2-carboxamide
CID 44425945
3-[[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-ethylpyrazine-2-carboxamide
CID 44425946
3-[[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 44425952
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2987774
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2992751
Pyrazine-2-carboxylic acid [2-(2-m-tolyloxy-acetylamino)-ethyl]-amide
CID 6498567
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498570

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (CID 6498596) is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is O=C(COc1ccccc1Cl)NCCCNC(=O)c1cnccn1.
What is the InChIKey of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is HIGNMVAEXNRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c17-12-4-1-2-5-14(12)24-11-15(22)20-6-3-7-21-16(23)13-10-18-8-9-19-13/h1-2,4-5,8-10H,3,6-7,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).