(3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide

C19H23N3O4 — CID 124878395

IUPAC(3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide
SMILESNC(=O)C[C@@H](c1ccncc1)c1oc(CN2CCCCC2)cc(=O)c1O
InChIInChI=1S/C19H23N3O4/c20-17(24)11-15(13-4-6-21-7-5-13)19-18(25)16(23)10-14(26-19)12-22-8-2-1-3-9-22/h4-7,10,15,25H,1-3,8-9,11-12H2,(H2,20,24)/t15-/m0/s1
InChIKeyKVBHFMJFYPNOIM-HNNXBMFYSA-N
MW357.41 g/mol
LogP1.73
Rot. Bonds6

About (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide

(3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide (PubChem CID 124878395) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide
PubChem CID124878395
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide
SMILESNC(=O)C[C@@H](c1ccncc1)c1oc(CN2CCCCC2)cc(=O)c1O
InChIInChI=1S/C19H23N3O4/c20-17(24)11-15(13-4-6-21-7-5-13)19-18(25)16(23)10-14(26-19)12-22-8-2-1-3-9-22/h4-7,10,15,25H,1-3,8-9,11-12H2,(H2,20,24)/t15-/m0/s1
InChIKeyKVBHFMJFYPNOIM-HNNXBMFYSA-N
XLogP1.73
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide with MolForge

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Related Compounds

(3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(3,4,5-trifluorophenyl)propanamide
CID 124878702
3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-quinolin-6-ylpropanamide
CID 110206366
(3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide
CID 124876743
(3S)-3-(3-hydroxy-4-methoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide
CID 124878469
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide
CID 91636907
(3R)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanamide
CID 124875206
methyl (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-3-ylpropanoate
CID 99988203
3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide
CID 110207313
methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoate
CID 91637586
3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide
CID 110206270
methyl (3S)-3-[3-(hydroxymethyl)-4-methoxyphenyl]-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanoate
CID 99991410
methyl (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-phenylpropanoate
CID 99996401

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide?
The IUPAC name of (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide (CID 124878395) is (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide is NC(=O)C[C@@H](c1ccncc1)c1oc(CN2CCCCC2)cc(=O)c1O.
What is the InChIKey of (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide?
The InChIKey is KVBHFMJFYPNOIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O4/c20-17(24)11-15(13-4-6-21-7-5-13)19-18(25)16(23)10-14(26-19)12-22-8-2-1-3-9-22/h4-7,10,15,25H,1-3,8-9,11-12H2,(H2,20,24)/t15-/m0/s1.
What are the key properties of (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide?
(3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide has a molecular weight of 357.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 124878395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).