N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide

C26H31FN4O2 — CID 24990805

IUPACN-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(OCCN(C)c2ccc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cn2)nc1
InChIInChI=1S/C26H31FN4O2/c1-19-6-13-24(29-16-19)33-15-14-30(5)23-12-7-20(17-28-23)18-31(25(32)26(2,3)4)22-10-8-21(27)9-11-22/h6-13,16-17H,14-15,18H2,1-5H3
InChIKeyLOUZTFMMXUFCFB-UHFFFAOYSA-N
MW450.56 g/mol
LogP5.02
Rot. Bonds8

About N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide

N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide (PubChem CID 24990805) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide
PubChem CID24990805
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC NameN-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(OCCN(C)c2ccc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cn2)nc1
InChIInChI=1S/C26H31FN4O2/c1-19-6-13-24(29-16-19)33-15-14-30(5)23-12-7-20(17-28-23)18-31(25(32)26(2,3)4)22-10-8-21(27)9-11-22/h6-13,16-17H,14-15,18H2,1-5H3
InChIKeyLOUZTFMMXUFCFB-UHFFFAOYSA-N
XLogP5.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide (CID 24990805) is N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide is Cc1ccc(OCCN(C)c2ccc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cn2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide?
The InChIKey is LOUZTFMMXUFCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-19-6-13-24(29-16-19)33-15-14-30(5)23-12-7-20(17-28-23)18-31(25(32)26(2,3)4)22-10-8-21(27)9-11-22/h6-13,16-17H,14-15,18H2,1-5H3.
What are the key properties of N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide?
N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide has a molecular weight of 450.56 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,2-dimethyl-N-[[6-[methyl-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]amino]-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 24990805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).