N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline

C16H17N3 — CID 156809772

IUPACN,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccccn1)c1ccc(C)cc1NC
InChIInChI=1S/C16H17N3/c1-12-6-8-14(16(11-12)18-2)15(17)9-7-13-5-3-4-10-19-13/h3-11,17-18H,1-2H3/b9-7+,17-15+
InChIKeyOERQEIFANOJKAT-YAMIPUGFSA-N
MW251.33 g/mol
LogP3.51
Rot. Bonds4

About N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline

N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline (PubChem CID 156809772) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline.

Molecular Properties

Compound NameN,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline
PubChem CID156809772
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccccn1)c1ccc(C)cc1NC
InChIInChI=1S/C16H17N3/c1-12-6-8-14(16(11-12)18-2)15(17)9-7-13-5-3-4-10-19-13/h3-11,17-18H,1-2H3/b9-7+,17-15+
InChIKeyOERQEIFANOJKAT-YAMIPUGFSA-N
XLogP3.51
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl formate;N-methyl-2-[3-(methylamino)-4-[(E)-3-pyridin-2-ylprop-2-enimidoyl]phenyl]sulfanylbenzamide
CID 156642841
N-methyl-2-[3-methyl-4-[(E)-3-pyridin-2-ylprop-2-enimidoyl]phenyl]sulfanylbenzamide
CID 122677689
5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline
CID 166735767
N-[(Z)-[(E)-1-(4-methylphenyl)-3-pyridin-2-ylprop-2-enylidene]amino]methanamine
CID 143645884
2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
2-[(E)-but-2-enimidoyl]-5-methylaniline
CID 143224208
N-methyl-2-[3-[[(1-oxopropan-2-ylamino)-quinoxalin-5-yloxyphosphoryl]amino]-4-[(E)-3-pyridin-2-ylprop-2-enimidoyl]phenyl]sulfanylbenzamide
CID 156642887
4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine
CID 134289638
nickel;pyridin-2-ylmethanimine
CID 87871752
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
4-methyl-2-(methylamino)benzenecarbothioamide
CID 62309052
cyclohexyl 2-[[[5-[2-(methylcarbamoyl)phenyl]sulfanyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]anilino]-phenoxyphosphinothioyl]amino]propanoate
CID 156642872

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline?
The IUPAC name of N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline (CID 156809772) is N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline.
What is the SMILES notation for N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline?
The canonical SMILES for N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline is [H]/N=C(\C=C\c1ccccn1)c1ccc(C)cc1NC.
What is the InChIKey of N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline?
The InChIKey is OERQEIFANOJKAT-YAMIPUGFSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-6-8-14(16(11-12)18-2)15(17)9-7-13-5-3-4-10-19-13/h3-11,17-18H,1-2H3/b9-7+,17-15+.
What are the key properties of N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline?
N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline has a molecular weight of 251.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline is sourced from PubChem (CID 156809772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).