N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide

C12H14N6O2 — CID 71702138

IUPACN-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide
SMILESO=C(CCCNC(=O)c1cnccn1)Nc1ncc[nH]1
InChIInChI=1S/C12H14N6O2/c19-10(18-12-16-6-7-17-12)2-1-3-15-11(20)9-8-13-4-5-14-9/h4-8H,1-3H2,(H,15,20)(H2,16,17,18,19)
InChIKeyVQNORWSSOIMBNN-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.35
Rot. Bonds6

About N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide

N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide (PubChem CID 71702138) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide
PubChem CID71702138
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC NameN-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide
SMILESO=C(CCCNC(=O)c1cnccn1)Nc1ncc[nH]1
InChIInChI=1S/C12H14N6O2/c19-10(18-12-16-6-7-17-12)2-1-3-15-11(20)9-8-13-4-5-14-9/h4-8H,1-3H2,(H,15,20)(H2,16,17,18,19)
InChIKeyVQNORWSSOIMBNN-UHFFFAOYSA-N
XLogP0.35
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide (CID 71702138) is N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide is O=C(CCCNC(=O)c1cnccn1)Nc1ncc[nH]1.
What is the InChIKey of N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide?
The InChIKey is VQNORWSSOIMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c19-10(18-12-16-6-7-17-12)2-1-3-15-11(20)9-8-13-4-5-14-9/h4-8H,1-3H2,(H,15,20)(H2,16,17,18,19).
What are the key properties of N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide?
N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-2-ylamino)-4-oxobutyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71702138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).