2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide

C23H30FN5O3 — CID 24613316

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H30FN5O3/c1-2-3-20(28-23(31)27-14-17-4-7-19(24)8-5-17)22(30)26-16-18-6-9-21(25-15-18)29-10-12-32-13-11-29/h4-9,15,20H,2-3,10-14,16H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyCBVDYBMJKVQECF-UHFFFAOYSA-N
MW443.52 g/mol
LogP2.34
Rot. Bonds9

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide (PubChem CID 24613316) has the molecular formula C23H30FN5O3 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
PubChem CID24613316
Molecular FormulaC23H30FN5O3
Molecular Weight443.52 g/mol
Exact Mass443.23
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H30FN5O3/c1-2-3-20(28-23(31)27-14-17-4-7-19(24)8-5-17)22(30)26-16-18-6-9-21(25-15-18)29-10-12-32-13-11-29/h4-9,15,20H,2-3,10-14,16H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyCBVDYBMJKVQECF-UHFFFAOYSA-N
XLogP2.34
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide with MolForge

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-morpholin-4-yl-2-pyridinyl)pentanamide
CID 55549139
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
1-[(2S)-1-methoxypropan-2-yl]-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 34669155
1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42962719
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 16602336
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
2-amino-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 119839515

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide (CID 24613316) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
The InChIKey is CBVDYBMJKVQECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O3/c1-2-3-20(28-23(31)27-14-17-4-7-19(24)8-5-17)22(30)26-16-18-6-9-21(25-15-18)29-10-12-32-13-11-29/h4-9,15,20H,2-3,10-14,16H2,1H3,(H,26,30)(H2,27,28,31).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide has a molecular weight of 443.52 g/mol, XLogP of 2.34, 9 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-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 24613316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).