2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C15H15Cl2N3O — CID 114917912

IUPAC2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-10(2)20(9-11-4-3-5-18-7-11)15(21)12-6-14(17)19-8-13(12)16/h3-8,10H,9H2,1-2H3
InChIKeyGSGVCVNGYZJYCS-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.83
Rot. Bonds4

About 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 114917912) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID114917912
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-10(2)20(9-11-4-3-5-18-7-11)15(21)12-6-14(17)19-8-13(12)16/h3-8,10H,9H2,1-2H3
InChIKeyGSGVCVNGYZJYCS-UHFFFAOYSA-N
XLogP3.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 60556723
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
6-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 166476038

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 114917912) is 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is CC(C)N(Cc1cccnc1)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is GSGVCVNGYZJYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-10(2)20(9-11-4-3-5-18-7-11)15(21)12-6-14(17)19-8-13(12)16/h3-8,10H,9H2,1-2H3.
What are the key properties of 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).