(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone

C14H20ClN3O — CID 83061829

IUPAC(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-2-5-11-6-3-4-7-18(11)14(19)10-8-12(15)17-13(16)9-10/h8-9,11H,2-7H2,1H3,(H2,16,17)
InChIKeyDEPNMLWKFXQWSQ-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.11
Rot. Bonds3

About (2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone

(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 83061829) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID83061829
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-2-5-11-6-3-4-7-18(11)14(19)10-8-12(15)17-13(16)9-10/h8-9,11H,2-7H2,1H3,(H2,16,17)
InChIKeyDEPNMLWKFXQWSQ-UHFFFAOYSA-N
XLogP3.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.11
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-chloro-6-hydrazinyl-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061599
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 62156377
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2,6-dichloro-4-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955470
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 113379665
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387
(5-amino-2-methyl-3-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83053618

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone (CID 83061829) is (2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of (2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is DEPNMLWKFXQWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-5-11-6-3-4-7-18(11)14(19)10-8-12(15)17-13(16)9-10/h8-9,11H,2-7H2,1H3,(H2,16,17).
What are the key properties of (2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone?
(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 281.79 g/mol, XLogP of 3.11, 3 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)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83061829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).