1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide

C13H18Cl2N4O — CID 102757200

IUPAC1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1nc(N2CCCC2C(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-3-17-11-8(14)7-9(15)12(18-11)19-6-4-5-10(19)13(20)16-2/h7,10H,3-6H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJLPMFMGXHDYUSN-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.54
Rot. Bonds4

About 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide

1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 102757200) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID102757200
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC Name1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCNc1nc(N2CCCC2C(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4O/c1-3-17-11-8(14)7-9(15)12(18-11)19-6-4-5-10(19)13(20)16-2/h7,10H,3-6H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJLPMFMGXHDYUSN-UHFFFAOYSA-N
XLogP2.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80805785
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785994
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80806767
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80784866
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254
3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 102756425
1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80960742
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80904855
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102759337
3,5-dichloro-6-(4-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 102756468

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide (CID 102757200) is 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide is CCNc1nc(N2CCCC2C(=O)NC)c(Cl)cc1Cl.
What is the InChIKey of 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JLPMFMGXHDYUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O/c1-3-17-11-8(14)7-9(15)12(18-11)19-6-4-5-10(19)13(20)16-2/h7,10H,3-6H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide?
1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102757200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).