(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone

C13H18ClN3O — CID 62155962

IUPAC(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-2-10-5-3-4-6-17(10)13(18)9-7-11(14)12(15)16-8-9/h7-8,10H,2-6H2,1H3,(H2,15,16)
InChIKeyRYTRCJMEAMPBTN-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.72
Rot. Bonds2

About (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone

(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 62155962) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID62155962
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-2-10-5-3-4-6-17(10)13(18)9-7-11(14)12(15)16-8-9/h7-8,10H,2-6H2,1H3,(H2,15,16)
InChIKeyRYTRCJMEAMPBTN-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

(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(3-amino-4,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688588
(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62160898
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 114922134
[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62187046
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 23725699
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264204
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
[2-(2,6-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264208
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone (CID 62155962) is (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is RYTRCJMEAMPBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-10-5-3-4-6-17(10)13(18)9-7-11(14)12(15)16-8-9/h7-8,10H,2-6H2,1H3,(H2,15,16).
What are the key properties of (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone?
(6-amino-5-chloro-3-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 (6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62155962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).