methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate

C20H16ClN3O3 — CID 175092526

IUPACmethyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)nc1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)15-8-9-17(23-12-15)19(25)24(18-7-2-3-10-22-18)13-14-5-4-6-16(21)11-14/h2-12H,13H2,1H3
InChIKeyNGZOPQVEMSCOOO-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.76
Rot. Bonds5

About methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate

methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate (PubChem CID 175092526) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate
PubChem CID175092526
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Namemethyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)nc1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)15-8-9-17(23-12-15)19(25)24(18-7-2-3-10-22-18)13-14-5-4-6-16(21)11-14/h2-12H,13H2,1H3
InChIKeyNGZOPQVEMSCOOO-UHFFFAOYSA-N
XLogP3.76
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 32762970
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-[(3-chlorophenyl)methyl]-5-phenyl-N-pyridin-2-yl-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 29140230
methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66458224
N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 121167614
N-[(4-tert-butylphenyl)methyl]-3,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583072
2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830511
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
2-[(3-chlorophenyl)methyl-pyridin-2-ylamino]-1-(4-nitrophenyl)ethanone
CID 110830112
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
4-chloro-N-[(2-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35577356

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate (CID 175092526) is methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)nc1.
What is the InChIKey of methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is NGZOPQVEMSCOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-20(26)15-8-9-17(23-12-15)19(25)24(18-7-2-3-10-22-18)13-14-5-4-6-16(21)11-14/h2-12H,13H2,1H3.
What are the key properties of methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate?
methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 381.82 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 175092526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).