(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone

C13H18ClN3O — CID 114922134

IUPAC(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H18ClN3O/c1-2-9-5-3-4-6-17(9)13(18)10-7-12(15)16-8-11(10)14/h7-9H,2-6H2,1H3,(H2,15,16)
InChIKeyVZPMLNIGETXDKI-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.72
Rot. Bonds2

About (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone

(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 114922134) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID114922134
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H18ClN3O/c1-2-9-5-3-4-6-17(9)13(18)10-7-12(15)16-8-11(10)14/h7-9H,2-6H2,1H3,(H2,15,16)
InChIKeyVZPMLNIGETXDKI-UHFFFAOYSA-N
XLogP2.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 62155962
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 114924337
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
(4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 86917004
(3-amino-4,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688588
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone (CID 114922134) is (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(N)ncc1Cl.
What is the InChIKey of (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is VZPMLNIGETXDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-9-5-3-4-6-17(9)13(18)10-7-12(15)16-8-11(10)14/h7-9H,2-6H2,1H3,(H2,15,16).
What are the key properties of (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114922134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).