6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H30N4O3 — CID 120887525

IUPAC6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCC1(CNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)CCNCC1
InChIInChI=1S/C21H30N4O3/c1-13(2)18-17-15(10-16(14-4-5-14)24-20(17)28-25-18)19(26)23-11-21(12-27-3)6-8-22-9-7-21/h10,13-14,22H,4-9,11-12H2,1-3H3,(H,23,26)
InChIKeyGMNYDRYZBYDJAH-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.97
Rot. Bonds7

About 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 120887525) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID120887525
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCC1(CNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)CCNCC1
InChIInChI=1S/C21H30N4O3/c1-13(2)18-17-15(10-16(14-4-5-14)24-20(17)28-25-18)19(26)23-11-21(12-27-3)6-8-22-9-7-21/h10,13-14,22H,4-9,11-12H2,1-3H3,(H,23,26)
InChIKeyGMNYDRYZBYDJAH-UHFFFAOYSA-N
XLogP2.97
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 120889439
6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120889438
6-cyclopropyl-N-(3-piperazin-1-ylpropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119392472
6-cyclopropyl-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138992326
N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627996
6-cyclopropyl-N-(1-hydroxypropan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78875339
N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120504755
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 120888556
N-[(2S)-1-aminopropan-2-yl]-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120504754
6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110891714
(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368348
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 120887525) is 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COCC1(CNC(=O)c2cc(C3CC3)nc3onc(C(C)C)c23)CCNCC1.
What is the InChIKey of 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GMNYDRYZBYDJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-13(2)18-17-15(10-16(14-4-5-14)24-20(17)28-25-18)19(26)23-11-21(12-27-3)6-8-22-9-7-21/h10,13-14,22H,4-9,11-12H2,1-3H3,(H,23,26).
What are the key properties of 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 120887525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).