N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide

C29H38N6O4 — CID 54759299

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(C(C)(C)C)CC4)cn3)cc2)no1
InChIInChI=1S/C29H38N6O4/c1-28(2,3)24-17-25(34-39-24)33-27(37)32-20-9-7-19(8-10-20)31-26(36)23-12-11-22(18-30-23)38-21-13-15-35(16-14-21)29(4,5)6/h7-12,17-18,21H,13-16H2,1-6H3,(H,31,36)(H2,32,33,34,37)
InChIKeyULCJFJXVIGNWMX-UHFFFAOYSA-N
MW534.66 g/mol
LogP5.91
Rot. Bonds6

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 54759299) has the molecular formula C29H38N6O4 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide
PubChem CID54759299
Molecular FormulaC29H38N6O4
Molecular Weight534.66 g/mol
Exact Mass534.30
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(C(C)(C)C)CC4)cn3)cc2)no1
InChIInChI=1S/C29H38N6O4/c1-28(2,3)24-17-25(34-39-24)33-27(37)32-20-9-7-19(8-10-20)31-26(36)23-12-11-22(18-30-23)38-21-13-15-35(16-14-21)29(4,5)6/h7-12,17-18,21H,13-16H2,1-6H3,(H,31,36)(H2,32,33,34,37)
InChIKeyULCJFJXVIGNWMX-UHFFFAOYSA-N
XLogP5.91
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 54759299) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(C(C)(C)C)CC4)cn3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide?
The InChIKey is ULCJFJXVIGNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O4/c1-28(2,3)24-17-25(34-39-24)33-27(37)32-20-9-7-19(8-10-20)31-26(36)23-12-11-22(18-30-23)38-21-13-15-35(16-14-21)29(4,5)6/h7-12,17-18,21H,13-16H2,1-6H3,(H,31,36)(H2,32,33,34,37).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 534.66 g/mol, XLogP of 5.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-tert-butylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54759299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).