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

C16H14Cl2N4O2 — CID 59618347

IUPAC4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
SMILESNc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4O2/c17-11-5-9(19)6-12(18)14(11)16(24)21-10-3-4-20-13(7-10)22-15(23)8-1-2-8/h3-8H,1-2,19H2,(H2,20,21,22,23,24)
InChIKeyZRNCYWMVVCCKCJ-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.57
Rot. Bonds4

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

4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide (PubChem CID 59618347) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
PubChem CID59618347
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
SMILESNc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4O2/c17-11-5-9(19)6-12(18)14(11)16(24)21-10-3-4-20-13(7-10)22-15(23)8-1-2-8/h3-8H,1-2,19H2,(H2,20,21,22,23,24)
InChIKeyZRNCYWMVVCCKCJ-UHFFFAOYSA-N
XLogP3.57
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
2,4-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methoxybenzamide
CID 59618243
2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
CID 59617959
2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-hydroxy-1,3-oxazolidin-3-yl)benzamide
CID 91321825
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-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
CID 68677654
2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide
CID 59618312
2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
CID 59618360
2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618232
N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
CID 59618071
2,6-dichloro-N-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]benzamide
CID 59618340

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide?
The IUPAC name of 4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide (CID 59618347) is 4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide is Nc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide?
The InChIKey is ZRNCYWMVVCCKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c17-11-5-9(19)6-12(18)14(11)16(24)21-10-3-4-20-13(7-10)22-15(23)8-1-2-8/h3-8H,1-2,19H2,(H2,20,21,22,23,24).
What are the key properties of 4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide?
4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide has a molecular weight of 365.22 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide is sourced from PubChem (CID 59618347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).