N-(4-methylphenyl)-5-nitrosopyridin-2-amine

C12H11N3O — CID 138981164

IUPACN-(4-methylphenyl)-5-nitrosopyridin-2-amine
SMILESCc1ccc(Nc2ccc(N=O)cn2)cc1
InChIInChI=1S/C12H11N3O/c1-9-2-4-10(5-3-9)14-12-7-6-11(15-16)8-13-12/h2-8H,1H3,(H,13,14)
InChIKeyURHCMAPWFUESJW-UHFFFAOYSA-N
MW213.24 g/mol
LogP3.53
Rot. Bonds3

About N-(4-methylphenyl)-5-nitrosopyridin-2-amine

N-(4-methylphenyl)-5-nitrosopyridin-2-amine (PubChem CID 138981164) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-nitrosopyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-nitrosopyridin-2-amine
PubChem CID138981164
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-(4-methylphenyl)-5-nitrosopyridin-2-amine
SMILESCc1ccc(Nc2ccc(N=O)cn2)cc1
InChIInChI=1S/C12H11N3O/c1-9-2-4-10(5-3-9)14-12-7-6-11(15-16)8-13-12/h2-8H,1H3,(H,13,14)
InChIKeyURHCMAPWFUESJW-UHFFFAOYSA-N
XLogP3.53
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoylamino)-2-(4-methylanilino)pyridine
CID 113016392
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
5-methyl-N-phenylpyridin-2-amine
CID 12888062
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-(4-methylphenyl)pyrazin-2-amine
CID 23073023
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
(E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride
CID 87636088
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-nitrosopyridin-2-amine?
The IUPAC name of N-(4-methylphenyl)-5-nitrosopyridin-2-amine (CID 138981164) is N-(4-methylphenyl)-5-nitrosopyridin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-nitrosopyridin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-5-nitrosopyridin-2-amine is Cc1ccc(Nc2ccc(N=O)cn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-nitrosopyridin-2-amine?
The InChIKey is URHCMAPWFUESJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-9-2-4-10(5-3-9)14-12-7-6-11(15-16)8-13-12/h2-8H,1H3,(H,13,14).
What are the key properties of N-(4-methylphenyl)-5-nitrosopyridin-2-amine?
N-(4-methylphenyl)-5-nitrosopyridin-2-amine has a molecular weight of 213.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-nitrosopyridin-2-amine is sourced from PubChem (CID 138981164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).