[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone

C13H18ClN3O — CID 114921368

IUPAC[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCCC2C)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O/c1-3-15-12-7-10(11(14)8-16-12)13(18)17-6-4-5-9(17)2/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyNZEWKUUVHLPBKP-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.79
Rot. Bonds3

About [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone

[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 114921368) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID114921368
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCCC2C)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O/c1-3-15-12-7-10(11(14)8-16-12)13(18)17-6-4-5-9(17)2/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyNZEWKUUVHLPBKP-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-chloro-2-(ethylamino)-4-pyridinyl]methanone
CID 114923871
(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 114917342
[5-chloro-2-(propylamino)-4-pyridinyl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 114922446
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 114922288
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588815
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923708
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114924753
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114924010
[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 114924337

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone (CID 114921368) is [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone is CCNc1cc(C(=O)N2CCCC2C)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is NZEWKUUVHLPBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-15-12-7-10(11(14)8-16-12)13(18)17-6-4-5-9(17)2/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114921368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).