N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H26N4O3 — CID 78851356

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)NC(C)c3ccc(NC(=O)C4CC4)cc3)c12
InChIInChI=1S/C23H26N4O3/c1-12(2)19-11-18(20-14(4)27-30-23(20)26-19)22(29)24-13(3)15-7-9-17(10-8-15)25-21(28)16-5-6-16/h7-13,16H,5-6H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyRCGWSLXVYGXHEY-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.49
Rot. Bonds6

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78851356) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78851356
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C(C)C)cc(C(=O)NC(C)c3ccc(NC(=O)C4CC4)cc3)c12
InChIInChI=1S/C23H26N4O3/c1-12(2)19-11-18(20-14(4)27-30-23(20)26-19)22(29)24-13(3)15-7-9-17(10-8-15)25-21(28)16-5-6-16/h7-13,16H,5-6H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyRCGWSLXVYGXHEY-UHFFFAOYSA-N
XLogP4.49
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-3-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315013
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830266
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78840051
3-methyl-6-propan-2-yl-N-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78882543
3-methyl-N-(4-methylsulfanylphenyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830370
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
3-methyl-6-propan-2-yl-N-(1-thiophen-2-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112806948
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 134021169
6-cyclopropyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853181
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 55591110
N-(1H-indol-6-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45493215
N-(4-acetamido-3-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78886813

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 78851356) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C(C)C)cc(C(=O)NC(C)c3ccc(NC(=O)C4CC4)cc3)c12.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RCGWSLXVYGXHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-12(2)19-11-18(20-14(4)27-30-23(20)26-19)22(29)24-13(3)15-7-9-17(10-8-15)25-21(28)16-5-6-16/h7-13,16H,5-6H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78851356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).