[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

C15H23ClN4O — CID 63175204

IUPAC[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cnc(NC)c(Cl)c2)C1
InChIInChI=1S/C15H23ClN4O/c1-4-19(5-2)12-6-7-20(10-12)15(21)11-8-13(16)14(17-3)18-9-11/h8-9,12H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyBHXCQZFOSJLCGA-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.33
Rot. Bonds5

About [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63175204) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID63175204
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cnc(NC)c(Cl)c2)C1
InChIInChI=1S/C15H23ClN4O/c1-4-19(5-2)12-6-7-20(10-12)15(21)11-8-13(16)14(17-3)18-9-11/h8-9,12H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyBHXCQZFOSJLCGA-UHFFFAOYSA-N
XLogP2.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-(methylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418732
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222
[3-(diethylamino)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 63175158
[5-chloro-6-(methylamino)-3-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63604961
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538359
5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 63537204
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone
CID 82752372
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 63175115
[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 63174668

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 63175204) is [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cnc(NC)c(Cl)c2)C1.
What is the InChIKey of [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is BHXCQZFOSJLCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-4-19(5-2)12-6-7-20(10-12)15(21)11-8-13(16)14(17-3)18-9-11/h8-9,12H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 310.83 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63175204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).