[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C19H30N4O — CID 95291325

IUPAC[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cn1
InChIInChI=1S/C19H30N4O/c1-4-22(5-2)18-11-10-15(14-20-18)19(24)23-13-7-9-17(23)16-8-6-12-21(16)3/h10-11,14,16-17H,4-9,12-13H2,1-3H3/t16-,17-/m0/s1
InChIKeyDLKUIVFFIVMHCU-IRXDYDNUSA-N
MW330.48 g/mol
LogP2.63
Rot. Bonds5

About [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95291325) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95291325
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cn1
InChIInChI=1S/C19H30N4O/c1-4-22(5-2)18-11-10-15(14-20-18)19(24)23-13-7-9-17(23)16-8-6-12-21(16)3/h10-11,14,16-17H,4-9,12-13H2,1-3H3/t16-,17-/m0/s1
InChIKeyDLKUIVFFIVMHCU-IRXDYDNUSA-N
XLogP2.63
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427381
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427380
[6-(diethylamino)-3-pyridinyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95353897
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
CID 119436014
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
[4-(4-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295766
[4-(4-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295765
2-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]acetamide
CID 48677877
[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95333942
(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95339680
[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 95329463

Frequently Asked Questions

What is the IUPAC name of [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95291325) is [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CCN(CC)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cn1.
What is the InChIKey of [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is DLKUIVFFIVMHCU-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-22(5-2)18-11-10-15(14-20-18)19(24)23-13-7-9-17(23)16-8-6-12-21(16)3/h10-11,14,16-17H,4-9,12-13H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 330.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95291325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).