1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone

C10H13ClN2O — CID 167425461

IUPAC1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone
SMILESCCCNc1cc(Cl)ncc1C(C)=O
InChIInChI=1S/C10H13ClN2O/c1-3-4-12-9-5-10(11)13-6-8(9)7(2)14/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyMMQCBWXQQOTMLK-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.76
Rot. Bonds4

About 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone

1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone (PubChem CID 167425461) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone
PubChem CID167425461
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone
SMILESCCCNc1cc(Cl)ncc1C(C)=O
InChIInChI=1S/C10H13ClN2O/c1-3-4-12-9-5-10(11)13-6-8(9)7(2)14/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyMMQCBWXQQOTMLK-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(propylamino)pyridine-3-carboxylic acid
CID 115028932
6-chloro-4-methyl-N-propylpyridin-3-amine
CID 130497608
N-(4-chlorophenyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238211
1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone
CID 67560086
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
3,6-dichloro-N-propylpyridazin-4-amine
CID 23242655
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
6-methyl-4-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 81233882
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235673

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone (CID 167425461) is 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone is CCCNc1cc(Cl)ncc1C(C)=O.
What is the InChIKey of 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone?
The InChIKey is MMQCBWXQQOTMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-4-12-9-5-10(11)13-6-8(9)7(2)14/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone?
1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone has a molecular weight of 212.68 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone is sourced from PubChem (CID 167425461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).