N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H16N4O2 — CID 46587247

IUPACN-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(C#N)cc3)c12
InChIInChI=1S/C19H16N4O2/c1-11-17-15(8-16(14-6-7-14)22-19(17)25-23-11)18(24)21-10-13-4-2-12(9-20)3-5-13/h2-5,8,14H,6-7,10H2,1H3,(H,21,24)
InChIKeyYLDLGYMAQXCKLE-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.21
Rot. Bonds4

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

N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46587247) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46587247
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(C#N)cc3)c12
InChIInChI=1S/C19H16N4O2/c1-11-17-15(8-16(14-6-7-14)22-19(17)25-23-11)18(24)21-10-13-4-2-12(9-20)3-5-13/h2-5,8,14H,6-7,10H2,1H3,(H,21,24)
InChIKeyYLDLGYMAQXCKLE-UHFFFAOYSA-N
XLogP3.21
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86990003
5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245680
N-[2-(cyclopropanecarbonylamino)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51322772
6-cyclopropyl-3-methyl-N-[2-(methylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120830455
N-(3-amino-2-methylpropyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119997760
7-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]heptanoic acid
CID 119227173
6-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95158907
6-cyclopropyl-N-[(2R)-2-(ethylamino)propyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120652981
3-[4-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 119252104
[1-(benzylamino)-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680864
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
6-cyclopropyl-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78859802

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46587247) is N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(C#N)cc3)c12.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YLDLGYMAQXCKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-17-15(8-16(14-6-7-14)22-19(17)25-23-11)18(24)21-10-13-4-2-12(9-20)3-5-13/h2-5,8,14H,6-7,10H2,1H3,(H,21,24).
What are the key properties of N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46587247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).