N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid

C32H46N6O7S — CID 54759495

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1cc(NC(=O)Nc2cc(C(C)(C)C)on2)ccc1NC(=O)c1ccc(OC2CC(C)(C)N(C)C(C)(C)C2)cn1
InChIInChI=1S/C31H42N6O4.CH4O3S/c1-19-14-20(33-28(39)35-26-15-25(41-36-26)29(2,3)4)10-12-23(19)34-27(38)24-13-11-21(18-32-24)40-22-16-30(5,6)37(9)31(7,8)17-22;1-5(2,3)4/h10-15,18,22H,16-17H2,1-9H3,(H,34,38)(H2,33,35,36,39);1H3,(H,2,3,4)
InChIKeyDAYRVPKQYOVFRC-UHFFFAOYSA-N
MW658.82 g/mol
LogP6.11
Rot. Bonds6

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid (PubChem CID 54759495) has the molecular formula C32H46N6O7S and a molecular weight of 658.82 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid
PubChem CID54759495
Molecular FormulaC32H46N6O7S
Molecular Weight658.82 g/mol
Exact Mass658.31
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1cc(NC(=O)Nc2cc(C(C)(C)C)on2)ccc1NC(=O)c1ccc(OC2CC(C)(C)N(C)C(C)(C)C2)cn1
InChIInChI=1S/C31H42N6O4.CH4O3S/c1-19-14-20(33-28(39)35-26-15-25(41-36-26)29(2,3)4)10-12-23(19)34-27(38)24-13-11-21(18-32-24)40-22-16-30(5,6)37(9)31(7,8)17-22;1-5(2,3)4/h10-15,18,22H,16-17H2,1-9H3,(H,34,38)(H2,33,35,36,39);1H3,(H,2,3,4)
InChIKeyDAYRVPKQYOVFRC-UHFFFAOYSA-N
XLogP6.11
TPSA175.99 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.82
LogP ≤ 56.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid (CID 54759495) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid is CS(=O)(=O)O.Cc1cc(NC(=O)Nc2cc(C(C)(C)C)on2)ccc1NC(=O)c1ccc(OC2CC(C)(C)N(C)C(C)(C)C2)cn1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid?
The InChIKey is DAYRVPKQYOVFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N6O4.CH4O3S/c1-19-14-20(33-28(39)35-26-15-25(41-36-26)29(2,3)4)10-12-23(19)34-27(38)24-13-11-21(18-32-24)40-22-16-30(5,6)37(9)31(7,8)17-22;1-5(2,3)4/h10-15,18,22H,16-17H2,1-9H3,(H,34,38)(H2,33,35,36,39);1H3,(H,2,3,4).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid has a molecular weight of 658.82 g/mol, XLogP of 6.11, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid is sourced from PubChem (CID 54759495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).