2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide

C19H16ClN3O — CID 91625896

IUPAC2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1ccc(-c2cccnc2)nc1
InChIInChI=1S/C19H16ClN3O/c20-17-6-2-1-4-15(17)10-19(24)23-12-14-7-8-18(22-11-14)16-5-3-9-21-13-16/h1-9,11,13H,10,12H2,(H,23,24)
InChIKeyISGAWRUPTVRJNR-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.66
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide

2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide (PubChem CID 91625896) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
PubChem CID91625896
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1ccc(-c2cccnc2)nc1
InChIInChI=1S/C19H16ClN3O/c20-17-6-2-1-4-15(17)10-19(24)23-12-14-7-8-18(22-11-14)16-5-3-9-21-13-16/h1-9,11,13H,10,12H2,(H,23,24)
InChIKeyISGAWRUPTVRJNR-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91816099
2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625907
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110705421
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide
CID 91625934
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide (CID 91625896) is 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide is O=C(Cc1ccccc1Cl)NCc1ccc(-c2cccnc2)nc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is ISGAWRUPTVRJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-17-6-2-1-4-15(17)10-19(24)23-12-14-7-8-18(22-11-14)16-5-3-9-21-13-16/h1-9,11,13H,10,12H2,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 337.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91625896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).