3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C21H26N6O2 — CID 86968778

IUPAC3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NC(C)CN3CCN(c4ccccn4)CC3)cc12
InChIInChI=1S/C21H26N6O2/c1-3-18-17-12-16(13-23-21(17)29-25-18)20(28)24-15(2)14-26-8-10-27(11-9-26)19-6-4-5-7-22-19/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,24,28)
InChIKeyCYGFOBBHUUDEFU-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.12
Rot. Bonds6

About 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 86968778) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID86968778
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NC(C)CN3CCN(c4ccccn4)CC3)cc12
InChIInChI=1S/C21H26N6O2/c1-3-18-17-12-16(13-23-21(17)29-25-18)20(28)24-15(2)14-26-8-10-27(11-9-26)19-6-4-5-7-22-19/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,24,28)
InChIKeyCYGFOBBHUUDEFU-UHFFFAOYSA-N
XLogP2.12
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 102558109
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146085166
4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968929
3-(methylsulfonylmethyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968837
2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008384
2-(oxolan-2-ylmethylsulfanyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968915
(2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119364384
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
N-methyl-N-[2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]furan-2-carboxamide
CID 86969023

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 86968778) is 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCc1noc2ncc(C(=O)NC(C)CN3CCN(c4ccccn4)CC3)cc12.
What is the InChIKey of 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is CYGFOBBHUUDEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-3-18-17-12-16(13-23-21(17)29-25-18)20(28)24-15(2)14-26-8-10-27(11-9-26)19-6-4-5-7-22-19/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,24,28).
What are the key properties of 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86968778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).