2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide

C12H12Cl2N4O — CID 114918135

IUPAC2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCn1ccnc1CCNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-18-5-4-15-11(18)2-3-16-12(19)8-6-10(14)17-7-9(8)13/h4-7H,2-3H2,1H3,(H,16,19)
InChIKeyLEKAKMVLXTYIEX-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.09
Rot. Bonds4

About 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide

2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114918135) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID114918135
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCn1ccnc1CCNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-18-5-4-15-11(18)2-3-16-12(19)8-6-10(14)17-7-9(8)13/h4-7H,2-3H2,1H3,(H,16,19)
InChIKeyLEKAKMVLXTYIEX-UHFFFAOYSA-N
XLogP2.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.09
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-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
5-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 62248435
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 62248961
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62248784
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide (CID 114918135) is 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide is Cn1ccnc1CCNC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is LEKAKMVLXTYIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18-5-4-15-11(18)2-3-16-12(19)8-6-10(14)17-7-9(8)13/h4-7H,2-3H2,1H3,(H,16,19).
What are the key properties of 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114918135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).