N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide

C10H12Cl3N3O — CID 102750399

IUPACN-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
SMILESCCCNC(=O)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3N3O/c1-2-3-14-8(17)5-15-10-7(12)4-6(11)9(13)16-10/h4H,2-3,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyYGOLIWJYXJIPQO-UHFFFAOYSA-N
MW296.59 g/mol
LogP2.98
Rot. Bonds5

About N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide

N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide (PubChem CID 102750399) has the molecular formula C10H12Cl3N3O and a molecular weight of 296.59 g/mol. Its IUPAC name is N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
PubChem CID102750399
Molecular FormulaC10H12Cl3N3O
Molecular Weight296.59 g/mol
Exact Mass295.00
IUPAC NameN-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
SMILESCCCNC(=O)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3N3O/c1-2-3-14-8(17)5-15-10-7(12)4-6(11)9(13)16-10/h4H,2-3,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyYGOLIWJYXJIPQO-UHFFFAOYSA-N
XLogP2.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.59
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3,5-Dichloropyridin-2-yl)piperazin-1-yl]ethanone
CID 2480749
4-(5-Chloro-3-fluoropyridin-2-yl)piperazin-2-one
CID 39814907
2-(tert-butylamino)-N-(5-chloropyridin-2-yl)acetamide
CID 4522244
2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-N-methylacetamide
CID 9250448
2-[Butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide
CID 47284352
2-[(5-chloro-6-cyano-2-pyridinyl)amino]-N,N-diethylacetamide
CID 72020288
2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 79728489
N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]acetamide
CID 16378947
2-[(5-Chloro-3-fluoro-2-pyridinyl)amino]butanamide
CID 71229515
N-(5-chloro-2-pyridinyl)-2-[[(3E)-5-fluoro-3-methylhexa-3,5-dienyl]amino]acetamide
CID 124117412
N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide
CID 170778488
N-(6-chloro-2-pyridinyl)-N-prop-2-enylacetamide
CID 11367819

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide (CID 102750399) is N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide is CCCNC(=O)CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide?
The InChIKey is YGOLIWJYXJIPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3N3O/c1-2-3-14-8(17)5-15-10-7(12)4-6(11)9(13)16-10/h4H,2-3,5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide?
N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide has a molecular weight of 296.59 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 102750399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).