2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide

C14H13Cl2N3O — CID 114917924

IUPAC2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-9(10-3-5-17-6-4-10)19(2)14(20)11-7-13(16)18-8-12(11)15/h3-9H,1-2H3
InChIKeyDPGJBEXQHSCOAW-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.62
Rot. Bonds3

About 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide

2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 114917924) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
PubChem CID114917924
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-9(10-3-5-17-6-4-10)19(2)14(20)11-7-13(16)18-8-12(11)15/h3-9H,1-2H3
InChIKeyDPGJBEXQHSCOAW-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.62
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

2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 61053761
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
5-chloro-2-(diethylamino)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrimidine-4-carboxamide
CID 95977161
4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 114918020
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 134210113
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912
3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 97326605
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide (CID 114917924) is 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide is CC(c1ccncc1)N(C)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is DPGJBEXQHSCOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-9(10-3-5-17-6-4-10)19(2)14(20)11-7-13(16)18-8-12(11)15/h3-9H,1-2H3.
What are the key properties of 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide?
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).