(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine

C24H29N5O2 — CID 172973603

IUPAC(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine
SMILESC=C(c1ccc(C2=NOC(C)(C)/C2=N\O)cc1)N(c1ncccc1C)[C@@H]1CCCNC1
InChIInChI=1S/C24H29N5O2/c1-16-7-5-14-26-23(16)29(20-8-6-13-25-15-20)17(2)18-9-11-19(12-10-18)21-22(27-30)24(3,4)31-28-21/h5,7,9-12,14,20,25,30H,2,6,8,13,15H2,1,3-4H3/b27-22-/t20-/m1/s1
InChIKeyQRBYXLUAWBBRGU-OLUGBCFNSA-N
MW419.53 g/mol
LogP3.96
Rot. Bonds5

About (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine

(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine (PubChem CID 172973603) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine
PubChem CID172973603
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine
SMILESC=C(c1ccc(C2=NOC(C)(C)/C2=N\O)cc1)N(c1ncccc1C)[C@@H]1CCCNC1
InChIInChI=1S/C24H29N5O2/c1-16-7-5-14-26-23(16)29(20-8-6-13-25-15-20)17(2)18-9-11-19(12-10-18)21-22(27-30)24(3,4)31-28-21/h5,7,9-12,14,20,25,30H,2,6,8,13,15H2,1,3-4H3/b27-22-/t20-/m1/s1
InChIKeyQRBYXLUAWBBRGU-OLUGBCFNSA-N
XLogP3.96
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine with MolForge

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Launch Full Analysis

Related Compounds

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 140933909
4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
CID 140933942
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933923
N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933927
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide
CID 140934009
4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 172533416
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide;N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl(piperidin-3-yl)amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 158405797
N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532265
2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
CID 146279893
[2-methyl-1-[5-[1-methyl-4-[4-[(3-methyl-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]pyrazol-5-yl]tetrazol-2-yl]propyl] propan-2-yl carbonate
CID 123290309
tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-ethyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-ethyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;3-chloro-4-ethylpyridine;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
CID 159598674
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(3-methyl-1,2-oxazol-5-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532663

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine (CID 172973603) is (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine is C=C(c1ccc(C2=NOC(C)(C)/C2=N\O)cc1)N(c1ncccc1C)[C@@H]1CCCNC1.
What is the InChIKey of (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine?
The InChIKey is QRBYXLUAWBBRGU-OLUGBCFNSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-7-5-14-26-23(16)29(20-8-6-13-25-15-20)17(2)18-9-11-19(12-10-18)21-22(27-30)24(3,4)31-28-21/h5,7,9-12,14,20,25,30H,2,6,8,13,15H2,1,3-4H3/b27-22-/t20-/m1/s1.
What are the key properties of (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine?
(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine has a molecular weight of 419.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine is sourced from PubChem (CID 172973603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).