N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine

C14H15N3O2 — CID 158500212

IUPACN,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine
SMILESC=C1C([N+](=O)[O-])=CC(C)=C(c2ccccc2)N1NC
InChIInChI=1S/C14H15N3O2/c1-10-9-13(17(18)19)11(2)16(15-3)14(10)12-7-5-4-6-8-12/h4-9,15H,2H2,1,3H3
InChIKeyHJUHVVDDYYMVHQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.54
Rot. Bonds3

About N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine

N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine (PubChem CID 158500212) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine
PubChem CID158500212
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine
SMILESC=C1C([N+](=O)[O-])=CC(C)=C(c2ccccc2)N1NC
InChIInChI=1S/C14H15N3O2/c1-10-9-13(17(18)19)11(2)16(15-3)14(10)12-7-5-4-6-8-12/h4-9,15H,2H2,1,3H3
InChIKeyHJUHVVDDYYMVHQ-UHFFFAOYSA-N
XLogP2.54
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-methyl-2-methylidene-3-nitro-6-phenyl-1-prop-2-ynoxypyridine
CID 158222451
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1,3-dimethyl-6-methylidene-2-phenylpyridine
CID 161180948
1,3-dimethyl-5-(5-methyl-3-phenylpyrazol-1-yl)-4-nitropyrazole
CID 177460733
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
1,2-dimethyl-3-phenylazirine
CID 45088049
4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine
CID 155682215
6-methyl-4-(methylamino)-3-nitro-2-phenylbenzonitrile
CID 102015085
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide
CID 139221982
2-(2-methyl-4-nitrophenyl)-3,4-diphenyl-1,2-oxazol-5-one
CID 71429390

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine?
The IUPAC name of N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine (CID 158500212) is N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine.
What is the SMILES notation for N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine?
The canonical SMILES for N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine is C=C1C([N+](=O)[O-])=CC(C)=C(c2ccccc2)N1NC.
What is the InChIKey of N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine?
The InChIKey is HJUHVVDDYYMVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-9-13(17(18)19)11(2)16(15-3)14(10)12-7-5-4-6-8-12/h4-9,15H,2H2,1,3H3.
What are the key properties of N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine?
N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine has a molecular weight of 257.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-methylidene-3-nitro-6-phenylpyridin-1-amine is sourced from PubChem (CID 158500212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).