2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide

C15H10Cl2N4O2 — CID 59618360

IUPAC2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
SMILESN#CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C15H10Cl2N4O2/c16-10-2-1-3-11(17)14(10)15(23)20-9-5-7-19-12(8-9)21-13(22)4-6-18/h1-3,5,7-8H,4H2,(H2,19,20,21,22,23)
InChIKeyLLSJCQRPCBWODB-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.49
Rot. Bonds4

About 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide

2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide (PubChem CID 59618360) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
PubChem CID59618360
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC Name2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
SMILESN#CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C15H10Cl2N4O2/c16-10-2-1-3-11(17)14(10)15(23)20-9-5-7-19-12(8-9)21-13(22)4-6-18/h1-3,5,7-8H,4H2,(H2,19,20,21,22,23)
InChIKeyLLSJCQRPCBWODB-UHFFFAOYSA-N
XLogP3.49
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
CID 68677654
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide
CID 59617943
2,6-dichloro-N-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]benzamide
CID 59618340
N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
CID 59618071
2,6-dichloro-N-[2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618118
2,6-dichloro-N-[2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618440
2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618575
2,6-dichloro-N-[2-(dimethylamino)-4-pyridinyl]benzamide
CID 59618587
2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide
CID 59618325
2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide
CID 90957574
2,6-dichloro-N-[2-[[5-(dimethylamino)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618178

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide (CID 59618360) is 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide is N#CCC(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide?
The InChIKey is LLSJCQRPCBWODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c16-10-2-1-3-11(17)14(10)15(23)20-9-5-7-19-12(8-9)21-13(22)4-6-18/h1-3,5,7-8H,4H2,(H2,19,20,21,22,23).
What are the key properties of 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide has a molecular weight of 349.18 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 59618360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).