N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide

C14H13IN4O2 — CID 8990844

IUPACN-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cnccn1)c1cccc(I)c1
InChIInChI=1S/C14H13IN4O2/c15-11-3-1-2-10(8-11)13(20)18-6-7-19-14(21)12-9-16-4-5-17-12/h1-5,8-9H,6-7H2,(H,18,20)(H,19,21)
InChIKeyLRKIWOZWYMJIFR-UHFFFAOYSA-N
MW396.19 g/mol
LogP1.24
Rot. Bonds5

About N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide

N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 8990844) has the molecular formula C14H13IN4O2 and a molecular weight of 396.19 g/mol. Its IUPAC name is N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID8990844
Molecular FormulaC14H13IN4O2
Molecular Weight396.19 g/mol
Exact Mass396.01
IUPAC NameN-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cnccn1)c1cccc(I)c1
InChIInChI=1S/C14H13IN4O2/c15-11-3-1-2-10(8-11)13(20)18-6-7-19-14(21)12-9-16-4-5-17-12/h1-5,8-9H,6-7H2,(H,18,20)(H,19,21)
InChIKeyLRKIWOZWYMJIFR-UHFFFAOYSA-N
XLogP1.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(naphthalene-2-carbonylamino)ethyl]pyrazine-2-carboxamide
CID 8990855
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide
CID 110661159
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
CID 27887675

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide (CID 8990844) is N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide is O=C(NCCNC(=O)c1cnccn1)c1cccc(I)c1.
What is the InChIKey of N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is LRKIWOZWYMJIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN4O2/c15-11-3-1-2-10(8-11)13(20)18-6-7-19-14(21)12-9-16-4-5-17-12/h1-5,8-9H,6-7H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 396.19 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 8990844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).