N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H23N5O3 — CID 95227914

IUPACN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2N2CCC[C@H](O)C2)c2c(C)noc2n1
InChIInChI=1S/C20H23N5O3/c1-12-9-16(17-13(2)24-28-20(17)23-12)19(27)22-10-14-5-3-7-21-18(14)25-8-4-6-15(26)11-25/h3,5,7,9,15,26H,4,6,8,10-11H2,1-2H3,(H,22,27)/t15-/m0/s1
InChIKeyFITZYUCQYFUPHW-HNNXBMFYSA-N
MW381.44 g/mol
LogP2.13
Rot. Bonds4

About N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 95227914) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID95227914
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2N2CCC[C@H](O)C2)c2c(C)noc2n1
InChIInChI=1S/C20H23N5O3/c1-12-9-16(17-13(2)24-28-20(17)23-12)19(27)22-10-14-5-3-7-21-18(14)25-8-4-6-15(26)11-25/h3,5,7,9,15,26H,4,6,8,10-11H2,1-2H3,(H,22,27)/t15-/m0/s1
InChIKeyFITZYUCQYFUPHW-HNNXBMFYSA-N
XLogP2.13
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 95204100
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432
3,6-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 87005260
3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 45206257
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 45184288
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
CID 56745363
N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32605719
(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 95227914) is N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cccnc2N2CCC[C@H](O)C2)c2c(C)noc2n1.
What is the InChIKey of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FITZYUCQYFUPHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-9-16(17-13(2)24-28-20(17)23-12)19(27)22-10-14-5-3-7-21-18(14)25-8-4-6-15(26)11-25/h3,5,7,9,15,26H,4,6,8,10-11H2,1-2H3,(H,22,27)/t15-/m0/s1.
What are the key properties of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 95227914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).