2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide

C20H19Cl2N5O2 — CID 55743503

IUPAC2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1nccn1-c1cc(CNC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C20H19Cl2N5O2/c1-12(26-20(29)15-4-3-5-16(21)18(15)22)19(28)25-11-14-6-7-24-17(10-14)27-9-8-23-13(27)2/h3-10,12H,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyOVAVPBNZZPKMFD-UHFFFAOYSA-N
MW432.31 g/mol
LogP3.32
Rot. Bonds6

About 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 55743503) has the molecular formula C20H19Cl2N5O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID55743503
Molecular FormulaC20H19Cl2N5O2
Molecular Weight432.31 g/mol
Exact Mass431.09
IUPAC Name2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCc1nccn1-c1cc(CNC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)ccn1
InChIInChI=1S/C20H19Cl2N5O2/c1-12(26-20(29)15-4-3-5-16(21)18(15)22)19(28)25-11-14-6-7-24-17(10-14)27-9-8-23-13(27)2/h3-10,12H,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyOVAVPBNZZPKMFD-UHFFFAOYSA-N
XLogP3.32
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide
CID 55717271
2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 25346113
2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 166191071
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815
5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 55912886
2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55745695
2-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide
CID 55849154
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258
2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 55738079
4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
CID 55716468
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18161939
2-chloro-N-[4-methylsulfanyl-1-oxo-1-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]butan-2-yl]benzamide
CID 46447705

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide (CID 55743503) is 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide is Cc1nccn1-c1cc(CNC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)ccn1.
What is the InChIKey of 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is OVAVPBNZZPKMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2/c1-12(26-20(29)15-4-3-5-16(21)18(15)22)19(28)25-11-14-6-7-24-17(10-14)27-9-8-23-13(27)2/h3-10,12H,11H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 432.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55743503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).