N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide

C17H17BrClN3O3 — CID 3948265

IUPACN-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
SMILESCCOc1cc(OCC)c(C=NNC(=O)c2cccnc2Cl)cc1Br
InChIInChI=1S/C17H17BrClN3O3/c1-3-24-14-9-15(25-4-2)13(18)8-11(14)10-21-22-17(23)12-6-5-7-20-16(12)19/h5-10H,3-4H2,1-2H3,(H,22,23)
InChIKeyAOSIZZOJYWFKHI-UHFFFAOYSA-N
MW426.70 g/mol
LogP4.06
Rot. Bonds7

About N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide

N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide (PubChem CID 3948265) has the molecular formula C17H17BrClN3O3 and a molecular weight of 426.70 g/mol. Its IUPAC name is N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
PubChem CID3948265
Molecular FormulaC17H17BrClN3O3
Molecular Weight426.70 g/mol
Exact Mass425.01
IUPAC NameN-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
SMILESCCOc1cc(OCC)c(C=NNC(=O)c2cccnc2Cl)cc1Br
InChIInChI=1S/C17H17BrClN3O3/c1-3-24-14-9-15(25-4-2)13(18)8-11(14)10-21-22-17(23)12-6-5-7-20-16(12)19/h5-10H,3-4H2,1-2H3,(H,22,23)
InChIKeyAOSIZZOJYWFKHI-UHFFFAOYSA-N
XLogP4.06
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.70
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 3933448
2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135821657
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 5024902
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 4319773
2-[5-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 5111841
methyl 2-[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3445415
methyl 2-[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 3513981
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3280407
ethyl 2-[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 3425465
2-bromo-N-[(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 139301919
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3295485

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide (CID 3948265) is N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide is CCOc1cc(OCC)c(C=NNC(=O)c2cccnc2Cl)cc1Br.
What is the InChIKey of N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide?
The InChIKey is AOSIZZOJYWFKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O3/c1-3-24-14-9-15(25-4-2)13(18)8-11(14)10-21-22-17(23)12-6-5-7-20-16(12)19/h5-10H,3-4H2,1-2H3,(H,22,23).
What are the key properties of N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide?
N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide has a molecular weight of 426.70 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 3948265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).