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

C27H34N6O3 — CID 54761337

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCN1CCC(c2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1
InChIInChI=1S/C27H34N6O3/c1-5-33-14-12-18(13-15-33)19-6-11-22(28-17-19)25(34)29-20-7-9-21(10-8-20)30-26(35)31-24-16-23(36-32-24)27(2,3)4/h6-11,16-18H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
InChIKeyFVXFEJBGHYVGML-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.46
Rot. Bonds6

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 54761337) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID54761337
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCN1CCC(c2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1
InChIInChI=1S/C27H34N6O3/c1-5-33-14-12-18(13-15-33)19-6-11-22(28-17-19)25(34)29-20-7-9-21(10-8-20)30-26(35)31-24-16-23(36-32-24)27(2,3)4/h6-11,16-18H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
InChIKeyFVXFEJBGHYVGML-UHFFFAOYSA-N
XLogP5.46
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-ethylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide (CID 54761337) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide is CCN1CCC(c2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is FVXFEJBGHYVGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-5-33-14-12-18(13-15-33)19-6-11-22(28-17-19)25(34)29-20-7-9-21(10-8-20)30-26(35)31-24-16-23(36-32-24)27(2,3)4/h6-11,16-18H,5,12-15H2,1-4H3,(H,29,34)(H2,30,31,32,35).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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-ethylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 54761337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).