N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide

C27H33N5O3 — CID 54761700

IUPACN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3ccc(CC4CCNCC4)cn3)cc2)no1
InChIInChI=1S/C27H33N5O3/c1-27(2,3)23-16-24(32-35-23)31-25(33)15-18-4-7-21(8-5-18)30-26(34)22-9-6-20(17-29-22)14-19-10-12-28-13-11-19/h4-9,16-17,19,28H,10-15H2,1-3H3,(H,30,34)(H,31,32,33)
InChIKeyCMEWUNNOSCLPTD-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.34
Rot. Bonds7

About N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 54761700) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID54761700
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3ccc(CC4CCNCC4)cn3)cc2)no1
InChIInChI=1S/C27H33N5O3/c1-27(2,3)23-16-24(32-35-23)31-25(33)15-18-4-7-21(8-5-18)30-26(34)22-9-6-20(17-29-22)14-19-10-12-28-13-11-19/h4-9,16-17,19,28H,10-15H2,1-3H3,(H,30,34)(H,31,32,33)
InChIKeyCMEWUNNOSCLPTD-UHFFFAOYSA-N
XLogP4.34
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 54761333
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-oxo-2-[5-(piperidin-4-ylmethyl)-2-pyridinyl]ethyl]phenyl]urea
CID 146722716
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 54761162
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760627
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760630
5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide
CID 70649476
3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
CID 59420495
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 59420682

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide (CID 54761700) is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3ccc(CC4CCNCC4)cn3)cc2)no1.
What is the InChIKey of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is CMEWUNNOSCLPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-27(2,3)23-16-24(32-35-23)31-25(33)15-18-4-7-21(8-5-18)30-26(34)22-9-6-20(17-29-22)14-19-10-12-28-13-11-19/h4-9,16-17,19,28H,10-15H2,1-3H3,(H,30,34)(H,31,32,33).
What are the key properties of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 54761700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).