6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide

C15H15N5O3 — CID 133397339

IUPAC6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1
InChIInChI=1S/C15H15N5O3/c16-15(21)12-7-17-8-14(18-12)19(11-5-6-11)9-10-3-1-2-4-13(10)20(22)23/h1-4,7-8,11H,5-6,9H2,(H2,16,21)
InChIKeyLQVOJNCQIVAWBB-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.65
Rot. Bonds6

About 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide

6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide (PubChem CID 133397339) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide
PubChem CID133397339
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1
InChIInChI=1S/C15H15N5O3/c16-15(21)12-7-17-8-14(18-12)19(11-5-6-11)9-10-3-1-2-4-13(10)20(22)23/h1-4,7-8,11H,5-6,9H2,(H2,16,21)
InChIKeyLQVOJNCQIVAWBB-UHFFFAOYSA-N
XLogP1.65
TPSA115.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397167
N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397265
5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile
CID 133397299
N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine
CID 133397352
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650499
(2-nitrophenyl)methyl N-cyclohexyl-N-[(2-nitrophenyl)methyl]carbamate
CID 87561557
N-benzyl-6-chloro-N-cyclohexylpyrazin-2-amine
CID 10380151
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
4-[[cyclopropyl-[(2-nitrophenyl)methyl]carbamoyl]amino]butanoic acid
CID 122022106
N-methyl-N-[(2-nitrophenyl)methyl]-1-oxothian-4-amine
CID 75408181
2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
CID 55147193

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide (CID 133397339) is 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide is NC(=O)c1cncc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1.
What is the InChIKey of 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide?
The InChIKey is LQVOJNCQIVAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c16-15(21)12-7-17-8-14(18-12)19(11-5-6-11)9-10-3-1-2-4-13(10)20(22)23/h1-4,7-8,11H,5-6,9H2,(H2,16,21).
What are the key properties of 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide?
6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 133397339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).