6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H28N4O2 — CID 119504737

IUPAC6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNCCNC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12
InChIInChI=1S/C19H28N4O2/c1-5-20-8-9-21-17(24)13-10-14(12-6-7-12)22-18-16(13)15(23-25-18)11-19(2,3)4/h10,12,20H,5-9,11H2,1-4H3,(H,21,24)
InChIKeyKQCSBSLTQUPJGP-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.03
Rot. Bonds7

About 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119504737) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119504737
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNCCNC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12
InChIInChI=1S/C19H28N4O2/c1-5-20-8-9-21-17(24)13-10-14(12-6-7-12)22-18-16(13)15(23-25-18)11-19(2,3)4/h10,12,20H,5-9,11H2,1-4H3,(H,21,24)
InChIKeyKQCSBSLTQUPJGP-UHFFFAOYSA-N
XLogP3.03
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119474529
6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86812538
6-cyclopropyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56576440
6-cyclopropyl-3-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119513187
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138998287
N-[2-(cyclopropanecarbonylamino)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51322772
2-[1-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]acetic acid
CID 120515436
4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119357130
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119348501
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55706561
[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 95192006
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119607900

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119504737) is 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCNCCNC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12.
What is the InChIKey of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KQCSBSLTQUPJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-20-8-9-21-17(24)13-10-14(12-6-7-12)22-18-16(13)15(23-25-18)11-19(2,3)4/h10,12,20H,5-9,11H2,1-4H3,(H,21,24).
What are the key properties of 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119504737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).