2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide

C19H23FN4O3 — CID 24605807

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C19H23FN4O3/c1-3-4-16(18(25)23-15-9-10-17(27-2)21-12-15)24-19(26)22-11-13-5-7-14(20)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyVOJLAWUIIXASAS-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.84
Rot. Bonds8

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide (PubChem CID 24605807) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
PubChem CID24605807
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C19H23FN4O3/c1-3-4-16(18(25)23-15-9-10-17(27-2)21-12-15)24-19(26)22-11-13-5-7-14(20)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyVOJLAWUIIXASAS-UHFFFAOYSA-N
XLogP2.84
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 107566922
methyl 2-chloro-5-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate
CID 55556722
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide
CID 71943301
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide
CID 24634494
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55541822
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 41181659
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 55679433

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide (CID 24605807) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OC)nc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide?
The InChIKey is VOJLAWUIIXASAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-3-4-16(18(25)23-15-9-10-17(27-2)21-12-15)24-19(26)22-11-13-5-7-14(20)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide has a molecular weight of 374.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide is sourced from PubChem (CID 24605807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).