1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one

C12H16N4O3 — CID 94008955

IUPAC1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
SMILESCOc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cn1
InChIInChI=1S/C12H16N4O3/c1-8(11(17)16-6-5-13-12(16)18)15-9-3-4-10(19-2)14-7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,18)/t8-/m0/s1
InChIKeyDSNCKVRPKUSZAZ-QMMMGPOBSA-N
MW264.29 g/mol
LogP0.44
Rot. Bonds4

About 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one

1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one (PubChem CID 94008955) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
PubChem CID94008955
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
SMILESCOc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cn1
InChIInChI=1S/C12H16N4O3/c1-8(11(17)16-6-5-13-12(16)18)15-9-3-4-10(19-2)14-7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,18)/t8-/m0/s1
InChIKeyDSNCKVRPKUSZAZ-QMMMGPOBSA-N
XLogP0.44
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 18097375
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 37303828
1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one
CID 47010755
1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one
CID 24624045
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 52511172
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoyl]imidazolidin-2-one
CID 31877165
1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one
CID 39975466
N-(6-methoxy-3-pyridinyl)-3-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzamide
CID 51130038
2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
CID 47023248
1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one
CID 94642990
(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 37303795

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one (CID 94008955) is 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one is COc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cn1.
What is the InChIKey of 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one?
The InChIKey is DSNCKVRPKUSZAZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8(11(17)16-6-5-13-12(16)18)15-9-3-4-10(19-2)14-7-9/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,18)/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one has a molecular weight of 264.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 94008955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).