2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

C19H15Cl2N3O2 — CID 71881348

IUPAC2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c20-16-9-8-15(18(21)23-16)19(26)22-11-13-4-6-14(7-5-13)12-24-10-2-1-3-17(24)25/h1-10H,11-12H2,(H,22,26)
InChIKeySSVPLBMZDDCNBE-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.53
Rot. Bonds5

About 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 71881348) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID71881348
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c20-16-9-8-15(18(21)23-16)19(26)22-11-13-4-6-14(7-5-13)12-24-10-2-1-3-17(24)25/h1-10H,11-12H2,(H,22,26)
InChIKeySSVPLBMZDDCNBE-UHFFFAOYSA-N
XLogP3.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 113227298
2-(methoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 51125144
1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 60577099
5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75462984
2-ethyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]butanamide
CID 51092538
4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide
CID 47071053
6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104369
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 27686969
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 60572861
2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 71881346
2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 60577667
3-(methoxymethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121365092

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (CID 71881348) is 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is SSVPLBMZDDCNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-16-9-8-15(18(21)23-16)19(26)22-11-13-4-6-14(7-5-13)12-24-10-2-1-3-17(24)25/h1-10H,11-12H2,(H,22,26).
What are the key properties of 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 388.25 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 71881348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).