3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide

C12H18ClN3O3S — CID 66484906

IUPAC3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
SMILESCCN(CCCNC(=O)c1ccncc1Cl)S(C)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-3-16(20(2,18)19)8-4-6-15-12(17)10-5-7-14-9-11(10)13/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,17)
InChIKeyPCZACRCYKYWJBD-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.14
Rot. Bonds7

About 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide

3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide (PubChem CID 66484906) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
PubChem CID66484906
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
SMILESCCN(CCCNC(=O)c1ccncc1Cl)S(C)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-3-16(20(2,18)19)8-4-6-15-12(17)10-5-7-14-9-11(10)13/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,17)
InChIKeyPCZACRCYKYWJBD-UHFFFAOYSA-N
XLogP1.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
CID 61053648
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61139442
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
5-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-nitrobenzamide
CID 60526996

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide (CID 66484906) is 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide is CCN(CCCNC(=O)c1ccncc1Cl)S(C)(=O)=O.
What is the InChIKey of 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide?
The InChIKey is PCZACRCYKYWJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-3-16(20(2,18)19)8-4-6-15-12(17)10-5-7-14-9-11(10)13/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,17).
What are the key properties of 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide?
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide has a molecular weight of 319.81 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 66484906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).