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

C17H12Cl2N4O2 — CID 68677654

IUPAC2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
SMILESN#CC1CC1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C17H12Cl2N4O2/c18-12-2-1-3-13(19)15(12)17(25)22-10-4-5-21-14(7-10)23-16(24)11-6-9(11)8-20/h1-5,7,9,11H,6H2,(H2,21,22,23,24,25)
InChIKeyQVALIZDLWGTJJH-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.74
Rot. Bonds4

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

2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide (PubChem CID 68677654) has the molecular formula C17H12Cl2N4O2 and a molecular weight of 375.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
PubChem CID68677654
Molecular FormulaC17H12Cl2N4O2
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
SMILESN#CC1CC1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C17H12Cl2N4O2/c18-12-2-1-3-13(19)15(12)17(25)22-10-4-5-21-14(7-10)23-16(24)11-6-9(11)8-20/h1-5,7,9,11H,6H2,(H2,21,22,23,24,25)
InChIKeyQVALIZDLWGTJJH-UHFFFAOYSA-N
XLogP3.74
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
CID 59618360
4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
CID 59618347
2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618232
2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide
CID 90957574
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,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide
CID 59618312
2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
CID 59617959

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide (CID 68677654) is 2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide is N#CC1CC1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of 2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide?
The InChIKey is QVALIZDLWGTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O2/c18-12-2-1-3-13(19)15(12)17(25)22-10-4-5-21-14(7-10)23-16(24)11-6-9(11)8-20/h1-5,7,9,11H,6H2,(H2,21,22,23,24,25).
What are the key properties of 2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide has a molecular weight of 375.22 g/mol, XLogP of 3.74, 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-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 68677654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).