4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide

C16H19N6O3+ — CID 8991071

IUPAC4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide
SMILESCN1C=C(C(=O)NCCNC(=O)c2c[n+](C)ccn2)C=CC1=CN=O
InChIInChI=1S/C16H18N6O3/c1-21-8-7-17-14(11-21)16(24)19-6-5-18-15(23)12-3-4-13(9-20-25)22(2)10-12/h3-4,7-11H,5-6H2,1-2H3,(H-,18,19,23,24)/p+1
InChIKeyFRCRKFNVVXWEKP-UHFFFAOYSA-O
MW343.37 g/mol
LogP-0.25
Rot. Bonds6

About 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide

4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide (PubChem CID 8991071) has the molecular formula C16H19N6O3+ and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide
PubChem CID8991071
Molecular FormulaC16H19N6O3+
Molecular Weight343.37 g/mol
Exact Mass343.15
IUPAC Name4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide
SMILESCN1C=C(C(=O)NCCNC(=O)c2c[n+](C)ccn2)C=CC1=CN=O
InChIInChI=1S/C16H18N6O3/c1-21-8-7-17-14(11-21)16(24)19-6-5-18-15(23)12-3-4-13(9-20-25)22(2)10-12/h3-4,7-11H,5-6H2,1-2H3,(H-,18,19,23,24)/p+1
InChIKeyFRCRKFNVVXWEKP-UHFFFAOYSA-O
XLogP-0.25
TPSA107.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide (CID 8991071) is 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide is CN1C=C(C(=O)NCCNC(=O)c2c[n+](C)ccn2)C=CC1=CN=O.
What is the InChIKey of 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide?
The InChIKey is FRCRKFNVVXWEKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N6O3/c1-21-8-7-17-14(11-21)16(24)19-6-5-18-15(23)12-3-4-13(9-20-25)22(2)10-12/h3-4,7-11H,5-6H2,1-2H3,(H-,18,19,23,24)/p+1.
What are the key properties of 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide?
4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide has a molecular weight of 343.37 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[[1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]ethyl]pyrazin-4-ium-2-carboxamide is sourced from PubChem (CID 8991071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).