1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C19H28N4O3 — CID 56877304

IUPAC1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCC(CO)Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1
InChIInChI=1S/C19H28N4O3/c1-14(13-24)21-17-5-4-16(11-20-17)19(26)22-9-6-15(7-10-22)12-23-8-2-3-18(23)25/h4-5,11,14-15,24H,2-3,6-10,12-13H2,1H3,(H,20,21)
InChIKeyALHBEZDSDXSUHU-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.35
Rot. Bonds6

About 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 56877304) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID56877304
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCC(CO)Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1
InChIInChI=1S/C19H28N4O3/c1-14(13-24)21-17-5-4-16(11-20-17)19(26)22-9-6-15(7-10-22)12-23-8-2-3-18(23)25/h4-5,11,14-15,24H,2-3,6-10,12-13H2,1H3,(H,20,21)
InChIKeyALHBEZDSDXSUHU-UHFFFAOYSA-N
XLogP1.35
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56869114
1-[[1-[6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 95563832
1-[[1-[6-[[(1R)-1-cyclopropylethyl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 26410765
1-[[1-[6-[[(2S)-1-methoxybutan-2-yl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 95205069
3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
CID 56751758
1-[[1-[6-(piperidin-3-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56745113
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95227967
1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 29027691
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 95223445
4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119185875
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973
2-[4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 119136022

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 56877304) is 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one is CC(CO)Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1.
What is the InChIKey of 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is ALHBEZDSDXSUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14(13-24)21-17-5-4-16(11-20-17)19(26)22-9-6-15(7-10-22)12-23-8-2-3-18(23)25/h4-5,11,14-15,24H,2-3,6-10,12-13H2,1H3,(H,20,21).
What are the key properties of 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 360.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 56877304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).