(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone

C10H12ClN3O — CID 62156377

IUPAC(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cc(Cl)n1
InChIInChI=1S/C10H12ClN3O/c11-8-5-7(6-9(12)13-8)10(15)14-3-1-2-4-14/h5-6H,1-4H2,(H2,12,13)
InChIKeyDLRMJXPVANWKMT-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.55
Rot. Bonds1

About (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone

(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 62156377) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID62156377
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cc(Cl)n1
InChIInChI=1S/C10H12ClN3O/c11-8-5-7(6-9(12)13-8)10(15)14-3-1-2-4-14/h5-6H,1-4H2,(H2,12,13)
InChIKeyDLRMJXPVANWKMT-UHFFFAOYSA-N
XLogP1.55
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.55
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

(2-amino-6-chloro-4-pyridinyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226309
(2-amino-6-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656588
(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 113379656
(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102737678
(2-amino-6-chloro-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62154515
(2-amino-6-chloro-4-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103538513
(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061829
[4-(2,6-dichloropyridine-4-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 78878529
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81200537
2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887514
(2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63768980

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone (CID 62156377) is (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone is Nc1cc(C(=O)N2CCCC2)cc(Cl)n1.
What is the InChIKey of (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is DLRMJXPVANWKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-8-5-7(6-9(12)13-8)10(15)14-3-1-2-4-14/h5-6H,1-4H2,(H2,12,13).
What are the key properties of (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 225.68 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 62156377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).