4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide

C19H20N4O3 — CID 139348119

IUPAC4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc3ncoc3c2)ccn1
InChIInChI=1S/C19H20N4O3/c1-19(2,3)23-18(25)15-10-13(6-7-20-15)22-17(24)9-12-4-5-14-16(8-12)26-11-21-14/h4-8,10-11H,9H2,1-3H3,(H,23,25)(H,20,22,24)
InChIKeyPRFBYPOLVOGHRA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.93
Rot. Bonds4

About 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide

4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide (PubChem CID 139348119) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide
PubChem CID139348119
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc3ncoc3c2)ccn1
InChIInChI=1S/C19H20N4O3/c1-19(2,3)23-18(25)15-10-13(6-7-20-15)22-17(24)9-12-4-5-14-16(8-12)26-11-21-14/h4-8,10-11H,9H2,1-3H3,(H,23,25)(H,20,22,24)
InChIKeyPRFBYPOLVOGHRA-UHFFFAOYSA-N
XLogP2.93
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pyridine-2-carboxamide
CID 139348148
N-tert-butyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 175058901
N-tert-butyl-4-[[2-(4-chloro-3-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139347932
2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110771869
methyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]benzoate
CID 110771867
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862
N-tert-butyl-4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348177
N-tert-butyl-4-[[2-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348461
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
N-tert-butyl-4-hydrazinylpyridine-2-carboxamide
CID 62238108
2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 110771768

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide (CID 139348119) is 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccc3ncoc3c2)ccn1.
What is the InChIKey of 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide?
The InChIKey is PRFBYPOLVOGHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-19(2,3)23-18(25)15-10-13(6-7-20-15)22-17(24)9-12-4-5-14-16(8-12)26-11-21-14/h4-8,10-11H,9H2,1-3H3,(H,23,25)(H,20,22,24).
What are the key properties of 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide?
4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]-N-tert-butylpyridine-2-carboxamide is sourced from PubChem (CID 139348119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).