2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide

C18H13Cl2N3O2 — CID 170430986

IUPAC2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2cccc(=O)[nH]2)nc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2N3O2/c19-12-3-1-4-13(20)17(12)18(25)22-10-11-7-8-14(21-9-11)15-5-2-6-16(24)23-15/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyVEZDFHBTKPEQRW-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.67
Rot. Bonds4

About 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide

2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 170430986) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide
PubChem CID170430986
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2cccc(=O)[nH]2)nc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2N3O2/c19-12-3-1-4-13(20)17(12)18(25)22-10-11-7-8-14(21-9-11)15-5-2-6-16(24)23-15/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyVEZDFHBTKPEQRW-UHFFFAOYSA-N
XLogP3.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methyl-N-[[4-(6-oxo-1H-pyridin-2-yl)phenyl]methyl]benzamide
CID 170430933
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
2,6-dichloro-N-[[4-(2-methyl-6-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
CID 71150032
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261569
2-chloro-6-methyl-N-[[6-(3-oxopiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 170438849
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide
CID 110714398
2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625896
2,6-dichloro-N-[(3-chloro-5-methyl-2-pyridinyl)methyl]benzamide
CID 58990268
3-(2,6-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 56807943
2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 20787064

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide (CID 170430986) is 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide is O=C(NCc1ccc(-c2cccc(=O)[nH]2)nc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is VEZDFHBTKPEQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-12-3-1-4-13(20)17(12)18(25)22-10-11-7-8-14(21-9-11)15-5-2-6-16(24)23-15/h1-9H,10H2,(H,22,25)(H,23,24).
What are the key properties of 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide?
2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 374.23 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[6-(6-oxo-1H-pyridin-2-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 170430986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).