2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide

C22H28FN5O3 — CID 55549139

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C22H28FN5O3/c1-2-3-19(26-22(30)25-14-16-4-6-17(23)7-5-16)21(29)27-20-9-8-18(15-24-20)28-10-12-31-13-11-28/h4-9,15,19H,2-3,10-14H2,1H3,(H,24,27,29)(H2,25,26,30)
InChIKeyAOTHHKCTHTUHBN-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.66
Rot. Bonds8

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide (PubChem CID 55549139) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide
PubChem CID55549139
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C22H28FN5O3/c1-2-3-19(26-22(30)25-14-16-4-6-17(23)7-5-16)21(29)27-20-9-8-18(15-24-20)28-10-12-31-13-11-28/h4-9,15,19H,2-3,10-14H2,1H3,(H,24,27,29)(H2,25,26,30)
InChIKeyAOTHHKCTHTUHBN-UHFFFAOYSA-N
XLogP2.66
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 24613316
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]urea
CID 42883941
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 43066891
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
1-but-2-ynyl-3-(5-morpholin-4-yl-2-pyridinyl)urea
CID 154754832
1-[(4-fluorophenyl)methyl]-3-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-1-oxopentan-2-yl]urea
CID 112808098
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]pentan-2-yl]urea
CID 46521288
1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 100625898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide (CID 55549139) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide?
The InChIKey is AOTHHKCTHTUHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-2-3-19(26-22(30)25-14-16-4-6-17(23)7-5-16)21(29)27-20-9-8-18(15-24-20)28-10-12-31-13-11-28/h4-9,15,19H,2-3,10-14H2,1H3,(H,24,27,29)(H2,25,26,30).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide has a molecular weight of 429.50 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide is sourced from PubChem (CID 55549139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).