2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide

C11H15Cl2N3O — CID 114917074

IUPAC2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-16(2)5-3-4-14-11(17)8-6-10(13)15-7-9(8)12/h6-7H,3-5H2,1-2H3,(H,14,17)
InChIKeyXBIAONBSWVVLSC-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.07
Rot. Bonds5

About 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide

2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide (PubChem CID 114917074) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
PubChem CID114917074
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-16(2)5-3-4-14-11(17)8-6-10(13)15-7-9(8)12/h6-7H,3-5H2,1-2H3,(H,14,17)
InChIKeyXBIAONBSWVVLSC-UHFFFAOYSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
CID 114917579
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 55041683
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
2-chloro-N-[4-(dimethylamino)butyl]-5-sulfanylbenzamide
CID 107027522
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide (CID 114917074) is 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide is CN(C)CCCNC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The InChIKey is XBIAONBSWVVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-16(2)5-3-4-14-11(17)8-6-10(13)15-7-9(8)12/h6-7H,3-5H2,1-2H3,(H,14,17).
What are the key properties of 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide has a molecular weight of 276.17 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 114917074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).