2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium

C34H39ClFN6O2U- — CID 177190278

IUPAC2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium
SMILES[H]/N=C(/CN(C(=C)CN1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1)c1cc([C-]=O)ccc1C)N(/C=N/[H])C(C)C.[U]
InChIInChI=1S/C34H39ClFN6O2.U/c1-23(2)42(22-37)33(38)19-41(32-16-26(20-43)9-8-24(32)3)25(4)18-40-14-12-27(13-15-40)31-6-5-7-34(39-31)44-21-28-10-11-29(35)17-30(28)36;/h5-11,16-17,22-23,27,37-38H,4,12-15,18-19,21H2,1-3H3;/q-1;/b37-22+,38-33-;
InChIKeyUAYNPVIUSRZUJT-NGAWAFBPSA-N
MW856.21 g/mol
LogP6.71
Rot. Bonds13

About 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium

2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium (PubChem CID 177190278) has the molecular formula C34H39ClFN6O2U- and a molecular weight of 856.21 g/mol. Its IUPAC name is 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium.

Molecular Properties

Compound Name2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium
PubChem CID177190278
Molecular FormulaC34H39ClFN6O2U-
Molecular Weight856.21 g/mol
Exact Mass855.33
IUPAC Name2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium
SMILES[H]/N=C(/CN(C(=C)CN1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1)c1cc([C-]=O)ccc1C)N(/C=N/[H])C(C)C.[U]
InChIInChI=1S/C34H39ClFN6O2.U/c1-23(2)42(22-37)33(38)19-41(32-16-26(20-43)9-8-24(32)3)25(4)18-40-14-12-27(13-15-40)31-6-5-7-34(39-31)44-21-28-10-11-29(35)17-30(28)36;/h5-11,16-17,22-23,27,37-38H,4,12-15,18-19,21H2,1-3H3;/q-1;/b37-22+,38-33-;
InChIKeyUAYNPVIUSRZUJT-NGAWAFBPSA-N
XLogP6.71
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.21
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium with MolForge

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Related Compounds

3-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl-(oxan-2-ylmethyl)amino]-4-methylbenzamide
CID 177190184
5-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 177190077
3-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-(2,2-difluoropropyl)amino]-4-methylbenzoic acid
CID 177190219
(E)-3-[6-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 168817326
3-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-[(3S)-oxolan-3-yl]amino]-4-methylbenzaldehyde
CID 177189869
(2E,4E)-4-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-(oxetan-2-ylmethyl)amino]-2,5-dimethylhepta-2,4,6-trienal
CID 177189947
3-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-[2-(oxan-2-yl)ethyl]amino]-4-methylbenzoic acid
CID 177190005
3-[2-[4-[6-[(2,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-methylamino]-4-methylbenzoic acid
CID 177189926
N-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]-4-methyl-2-(methylideneamino)aniline
CID 169168360
(2E,3E,5Z)-4-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl-(2-methoxyethyl)amino]-2-ethylidene-5,6-dimethylocta-3,5-dienoic acid
CID 177189955
2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine
CID 175266588
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 169168509

Frequently Asked Questions

What is the IUPAC name of 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium?
The IUPAC name of 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium (CID 177190278) is 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium.
What is the SMILES notation for 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium?
The canonical SMILES for 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium is [H]/N=C(/CN(C(=C)CN1CCC(c2cccc(OCc3ccc(Cl)cc3F)n2)CC1)c1cc([C-]=O)ccc1C)N(/C=N/[H])C(C)C.[U].
What is the InChIKey of 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium?
The InChIKey is UAYNPVIUSRZUJT-NGAWAFBPSA-N. The full InChI is InChI=1S/C34H39ClFN6O2.U/c1-23(2)42(22-37)33(38)19-41(32-16-26(20-43)9-8-24(32)3)25(4)18-40-14-12-27(13-15-40)31-6-5-7-34(39-31)44-21-28-10-11-29(35)17-30(28)36;/h5-11,16-17,22-23,27,37-38H,4,12-15,18-19,21H2,1-3H3;/q-1;/b37-22+,38-33-;.
What are the key properties of 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium?
2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium has a molecular weight of 856.21 g/mol, XLogP of 6.71, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl]-2-methyl-5-(oxomethyl)anilino]-N-methanimidoyl-N-propan-2-ylethanimidamide;uranium is sourced from PubChem (CID 177190278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).