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

C20H30N4O3 — CID 56869114

IUPAC1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCC(CCO)Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1
InChIInChI=1S/C20H30N4O3/c1-15(8-12-25)22-18-5-4-17(13-21-18)20(27)23-10-6-16(7-11-23)14-24-9-2-3-19(24)26/h4-5,13,15-16,25H,2-3,6-12,14H2,1H3,(H,21,22)
InChIKeyOLSYGRDRRZJAGC-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.74
Rot. Bonds7

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

1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 56869114) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID56869114
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCC(CCO)Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1
InChIInChI=1S/C20H30N4O3/c1-15(8-12-25)22-18-5-4-17(13-21-18)20(27)23-10-6-16(7-11-23)14-24-9-2-3-19(24)26/h4-5,13,15-16,25H,2-3,6-12,14H2,1H3,(H,21,22)
InChIKeyOLSYGRDRRZJAGC-UHFFFAOYSA-N
XLogP1.74
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56877304
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-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
[2-(2-hydroxyethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-3-pyridinyl]methanone
CID 84570849
4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119185875
[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628648

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 56869114) is 1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one is CC(CCO)Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1.
What is the InChIKey of 1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is OLSYGRDRRZJAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15(8-12-25)22-18-5-4-17(13-21-18)20(27)23-10-6-16(7-11-23)14-24-9-2-3-19(24)26/h4-5,13,15-16,25H,2-3,6-12,14H2,1H3,(H,21,22).
What are the key properties of 1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 374.49 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 56869114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).