3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide

C21H18Cl2N4O2 — CID 78813743

IUPAC3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
SMILESO=C(NCC(=O)N(Cc1ccncc1)Cc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl2N4O2/c22-18-4-3-17(10-19(18)23)21(29)26-12-20(28)27(13-15-5-8-24-9-6-15)14-16-2-1-7-25-11-16/h1-11H,12-14H2,(H,26,29)
InChIKeyJVTCHAUHOVWOAG-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.74
Rot. Bonds7

About 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide

3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide (PubChem CID 78813743) has the molecular formula C21H18Cl2N4O2 and a molecular weight of 429.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
PubChem CID78813743
Molecular FormulaC21H18Cl2N4O2
Molecular Weight429.31 g/mol
Exact Mass428.08
IUPAC Name3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
SMILESO=C(NCC(=O)N(Cc1ccncc1)Cc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl2N4O2/c22-18-4-3-17(10-19(18)23)21(29)26-12-20(28)27(13-15-5-8-24-9-6-15)14-16-2-1-7-25-11-16/h1-11H,12-14H2,(H,26,29)
InChIKeyJVTCHAUHOVWOAG-UHFFFAOYSA-N
XLogP3.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113055305
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26592239
3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide
CID 60520711
N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
CID 42778869
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 78806460
2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 75380208
3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
CID 86908282
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792706

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide (CID 78813743) is 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide is O=C(NCC(=O)N(Cc1ccncc1)Cc1cccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
The InChIKey is JVTCHAUHOVWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2/c22-18-4-3-17(10-19(18)23)21(29)26-12-20(28)27(13-15-5-8-24-9-6-15)14-16-2-1-7-25-11-16/h1-11H,12-14H2,(H,26,29).
What are the key properties of 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide?
3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide has a molecular weight of 429.31 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide is sourced from PubChem (CID 78813743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).