N-(3-methyl-2-pyridinyl)nitramide

C6H7N3O2 — CID 572095

IUPACN-(3-methyl-2-pyridinyl)nitramide
SMILESCc1cccnc1N[N+](=O)[O-]
InChIInChI=1S/C6H7N3O2/c1-5-3-2-4-7-6(5)8-9(10)11/h2-4H,1H3,(H,7,8)
InChIKeyKZVCMWYVURNVOQ-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.99
Rot. Bonds2

About N-(3-methyl-2-pyridinyl)nitramide

N-(3-methyl-2-pyridinyl)nitramide (PubChem CID 572095) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)nitramide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)nitramide
PubChem CID572095
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC NameN-(3-methyl-2-pyridinyl)nitramide
SMILESCc1cccnc1N[N+](=O)[O-]
InChIInChI=1S/C6H7N3O2/c1-5-3-2-4-7-6(5)8-9(10)11/h2-4H,1H3,(H,7,8)
InChIKeyKZVCMWYVURNVOQ-UHFFFAOYSA-N
XLogP0.99
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-nitramido-3-pyridinyl)nitramide
CID 15047297
N-(3-iodo-2-pyridinyl)nitramide
CID 119093198
N-(3,4-dimethyl-2-pyridinyl)nitramide
CID 174290384
6-N-methyl-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23486915
N-methyl-3-nitropyridin-2-amine
CID 556349
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466380
6-N-(4-fluorophenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22527100
4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide
CID 43217809
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)nitramide?
The IUPAC name of N-(3-methyl-2-pyridinyl)nitramide (CID 572095) is N-(3-methyl-2-pyridinyl)nitramide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)nitramide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)nitramide is Cc1cccnc1N[N+](=O)[O-].
What is the InChIKey of N-(3-methyl-2-pyridinyl)nitramide?
The InChIKey is KZVCMWYVURNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-5-3-2-4-7-6(5)8-9(10)11/h2-4H,1H3,(H,7,8).
What are the key properties of N-(3-methyl-2-pyridinyl)nitramide?
N-(3-methyl-2-pyridinyl)nitramide has a molecular weight of 153.14 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)nitramide is sourced from PubChem (CID 572095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).