N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine

C26H26N4O — CID 174245165

IUPACN-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine
SMILES[H]/N=C(/C(=C)c1ccnc(-c2ccc(C(=C)NC3CCOCC3)cc2)c1)c1ccccn1
InChIInChI=1S/C26H26N4O/c1-18(26(27)24-5-3-4-13-28-24)22-10-14-29-25(17-22)21-8-6-20(7-9-21)19(2)30-23-11-15-31-16-12-23/h3-10,13-14,17,23,27,30H,1-2,11-12,15-16H2/b27-26-
InChIKeyWETIQTJQEZDWTR-RQZHXJHFSA-N
MW410.52 g/mol
LogP4.96
Rot. Bonds7

About N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine

N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine (PubChem CID 174245165) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine.

Molecular Properties

Compound NameN-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine
PubChem CID174245165
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine
SMILES[H]/N=C(/C(=C)c1ccnc(-c2ccc(C(=C)NC3CCOCC3)cc2)c1)c1ccccn1
InChIInChI=1S/C26H26N4O/c1-18(26(27)24-5-3-4-13-28-24)22-10-14-29-25(17-22)21-8-6-20(7-9-21)19(2)30-23-11-15-31-16-12-23/h3-10,13-14,17,23,27,30H,1-2,11-12,15-16H2/b27-26-
InChIKeyWETIQTJQEZDWTR-RQZHXJHFSA-N
XLogP4.96
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine with MolForge

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Related Compounds

[4-[2-[4-(oxan-4-ylcarbamoyl)phenyl]-4-pyridinyl]-3-pyridin-2-ylpyrazol-1-yl]methyl formate
CID 176618164
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
CID 167003948
lithium N-(oxan-4-yl)-4-[4-[1-(oxomethoxymethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 176618163
N-[1-(4-phenylphenyl)ethenyl]cyclopropanamine
CID 143032904
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
2-[2-(4-morpholin-4-ylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
CID 58585937
N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide
CID 11626023
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
2-N-cyclopropyl-4-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109078752
N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide
CID 142916838
1-pyridin-2-ylethenylhydrazine
CID 170235415
4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 126447092

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine?
The IUPAC name of N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine (CID 174245165) is N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine.
What is the SMILES notation for N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine?
The canonical SMILES for N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine is [H]/N=C(/C(=C)c1ccnc(-c2ccc(C(=C)NC3CCOCC3)cc2)c1)c1ccccn1.
What is the InChIKey of N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine?
The InChIKey is WETIQTJQEZDWTR-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18(26(27)24-5-3-4-13-28-24)22-10-14-29-25(17-22)21-8-6-20(7-9-21)19(2)30-23-11-15-31-16-12-23/h3-10,13-14,17,23,27,30H,1-2,11-12,15-16H2/b27-26-.
What are the key properties of N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine?
N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine has a molecular weight of 410.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(3-imino-3-pyridin-2-ylprop-1-en-2-yl)-2-pyridinyl]phenyl]ethenyl]oxan-4-amine is sourced from PubChem (CID 174245165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).