2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate

C28H35N5O3 — CID 89332304

IUPAC2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate
SMILESCCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCOC(=O)Nc2ccccc2)c1
InChIInChI=1S/C28H35N5O3/c1-4-14-33(15-5-2)25-19-26(32-29-21-23-11-9-10-22(3)18-23)31-27(20-25)35-16-17-36-28(34)30-24-12-7-6-8-13-24/h6-13,18-21H,4-5,14-17H2,1-3H3,(H,30,34)(H,31,32)/b29-21+
InChIKeyHXPQFJVIMXYPGC-XHLNEMQHSA-N
MW489.62 g/mol
LogP6.09
Rot. Bonds13

About 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate

2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate (PubChem CID 89332304) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate
PubChem CID89332304
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate
SMILESCCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCOC(=O)Nc2ccccc2)c1
InChIInChI=1S/C28H35N5O3/c1-4-14-33(15-5-2)25-19-26(32-29-21-23-11-9-10-22(3)18-23)31-27(20-25)35-16-17-36-28(34)30-24-12-7-6-8-13-24/h6-13,18-21H,4-5,14-17H2,1-3H3,(H,30,34)(H,31,32)/b29-21+
InChIKeyHXPQFJVIMXYPGC-XHLNEMQHSA-N
XLogP6.09
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol
CID 89332299
6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 89331892
4-(dipropylamino)-N,N-dimethyl-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pyridine-2-carboxamide
CID 89358315
6-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]-2-N-[(E)-(3-methylphenyl)methylideneamino]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450305
6-N-ethyl-2-N-[(E)-(3-methylphenyl)methylideneamino]-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine
CID 89358423
2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 11431329
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 89163631
2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate
CID 66682133
4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 11646521
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 11713445

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate?
The IUPAC name of 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate (CID 89332304) is 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate.
What is the SMILES notation for 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate?
The canonical SMILES for 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate is CCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCOC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate?
The InChIKey is HXPQFJVIMXYPGC-XHLNEMQHSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-4-14-33(15-5-2)25-19-26(32-29-21-23-11-9-10-22(3)18-23)31-27(20-25)35-16-17-36-28(34)30-24-12-7-6-8-13-24/h6-13,18-21H,4-5,14-17H2,1-3H3,(H,30,34)(H,31,32)/b29-21+.
What are the key properties of 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate?
2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate has a molecular weight of 489.62 g/mol, XLogP of 6.09, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate is sourced from PubChem (CID 89332304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).