N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide

C30H36FN5O3 — CID 122180062

IUPACN-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(OCCN4CCCCC4)c(F)c3)cc2)cn1
InChIInChI=1S/C30H36FN5O3/c1-30(2,3)28(37)35-27-14-9-22(20-32-27)21-7-10-23(11-8-21)33-29(38)34-24-12-13-26(25(31)19-24)39-18-17-36-15-5-4-6-16-36/h7-14,19-20H,4-6,15-18H2,1-3H3,(H,32,35,37)(H2,33,34,38)
InChIKeyNBWSYMFQBCGBDR-UHFFFAOYSA-N
MW533.65 g/mol
LogP6.38
Rot. Bonds8

About N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 122180062) has the molecular formula C30H36FN5O3 and a molecular weight of 533.65 g/mol. Its IUPAC name is N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID122180062
Molecular FormulaC30H36FN5O3
Molecular Weight533.65 g/mol
Exact Mass533.28
IUPAC NameN-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(OCCN4CCCCC4)c(F)c3)cc2)cn1
InChIInChI=1S/C30H36FN5O3/c1-30(2,3)28(37)35-27-14-9-22(20-32-27)21-7-10-23(11-8-21)33-29(38)34-24-12-13-26(25(31)19-24)39-18-17-36-15-5-4-6-16-36/h7-14,19-20H,4-6,15-18H2,1-3H3,(H,32,35,37)(H2,33,34,38)
InChIKeyNBWSYMFQBCGBDR-UHFFFAOYSA-N
XLogP6.38
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.65
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-((4-((2-aminopyridin-4-yl)oxy)-3-fluorophenyl)carbamoyl)-2-(4-fluorophenyl)acetamide
CID 17748441
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 59
CID 5330245
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3237037
N-(4-{[2-amino-3-(propan-2-yl)pyridin-4-yl]oxy}-3-fluorophenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218743
Pyridoimidazolone, 5n
CID 42626269
2-(Morpholin-4-Yl)-N-[4-(Pyridin-4-Yloxy)phenyl]pyridine-4-Carboxamide
CID 70679357

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 122180062) is N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(OCCN4CCCCC4)c(F)c3)cc2)cn1.
What is the InChIKey of N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is NBWSYMFQBCGBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN5O3/c1-30(2,3)28(37)35-27-14-9-22(20-32-27)21-7-10-23(11-8-21)33-29(38)34-24-12-13-26(25(31)19-24)39-18-17-36-15-5-4-6-16-36/h7-14,19-20H,4-6,15-18H2,1-3H3,(H,32,35,37)(H2,33,34,38).
What are the key properties of N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 533.65 g/mol, XLogP of 6.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]carbamoylamino]phenyl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 122180062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).