4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen

C16H22N6 — CID 86740554

IUPAC4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen
SMILESCN(C)CCCc1ccnc(Nc2ccccc2)c1N.N#N
InChIInChI=1S/C16H22N4.N2/c1-20(2)12-6-7-13-10-11-18-16(15(13)17)19-14-8-4-3-5-9-14;1-2/h3-5,8-11H,6-7,12,17H2,1-2H3,(H,18,19);
InChIKeyAAOKYUMUKUHZEP-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.93
Rot. Bonds6

About 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen

4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen (PubChem CID 86740554) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen
PubChem CID86740554
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen
SMILESCN(C)CCCc1ccnc(Nc2ccccc2)c1N.N#N
InChIInChI=1S/C16H22N4.N2/c1-20(2)12-6-7-13-10-11-18-16(15(13)17)19-14-8-4-3-5-9-14;1-2/h3-5,8-11H,6-7,12,17H2,1-2H3,(H,18,19);
InChIKeyAAOKYUMUKUHZEP-UHFFFAOYSA-N
XLogP2.93
TPSA101.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromoanilino)-4-[3-(dimethylamino)propyl]pyridine-3-carboxylic acid;hydrochloride
CID 20980518
2-N,4-diphenylpyridine-2,3-diamine
CID 59346194
2-[3-(dimethylamino)propyl]naphthalen-1-amine
CID 19734899
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 69477027
[2-[[4-[3-(dimethylamino)propyl]-3-nitro-2-pyridinyl]amino]-5-methylphenyl]-phenylmethanone
CID 70511000
3-amino-2-[4-(dimethylamino)butylamino]pyridine-4-carbonitrile
CID 82817310
N,N-dimethylbutan-1-amine;N-methylaniline
CID 174844053
N-phenylisoquinolin-1-amine
CID 613037
2-anilinopyridin-3-ol
CID 13314045
N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
N-phenylisoquinolin-1-amine;dihydrate
CID 51057780

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen?
The IUPAC name of 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen (CID 86740554) is 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen is CN(C)CCCc1ccnc(Nc2ccccc2)c1N.N#N.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen?
The InChIKey is AAOKYUMUKUHZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.N2/c1-20(2)12-6-7-13-10-11-18-16(15(13)17)19-14-8-4-3-5-9-14;1-2/h3-5,8-11H,6-7,12,17H2,1-2H3,(H,18,19);.
What are the key properties of 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen?
4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen has a molecular weight of 298.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-2-N-phenylpyridine-2,3-diamine;molecular nitrogen is sourced from PubChem (CID 86740554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).