(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide

C19H23FN4O2 — CID 36714136

IUPAC(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
SMILESCCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C19H23FN4O2/c1-2-5-17(18(25)22-13-16-6-3-4-11-21-16)24-19(26)23-12-14-7-9-15(20)10-8-14/h3-4,6-11,17H,2,5,12-13H2,1H3,(H,22,25)(H2,23,24,26)/t17-/m0/s1
InChIKeyIFSQTKJBSIIAHH-KRWDZBQOSA-N
MW358.42 g/mol
LogP2.51
Rot. Bonds8

About (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide

(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide (PubChem CID 36714136) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
PubChem CID36714136
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
SMILESCCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C19H23FN4O2/c1-2-5-17(18(25)22-13-16-6-3-4-11-21-16)24-19(26)23-12-14-7-9-15(20)10-8-14/h3-4,6-11,17H,2,5,12-13H2,1H3,(H,22,25)(H2,23,24,26)/t17-/m0/s1
InChIKeyIFSQTKJBSIIAHH-KRWDZBQOSA-N
XLogP2.51
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 55679433
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]pentan-2-yl]urea
CID 46521288
N-[1-(2-chlorophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 42933788
N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55503659
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 24613316

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide (CID 36714136) is (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide is CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccccn1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide?
The InChIKey is IFSQTKJBSIIAHH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-2-5-17(18(25)22-13-16-6-3-4-11-21-16)24-19(26)23-12-14-7-9-15(20)10-8-14/h3-4,6-11,17H,2,5,12-13H2,1H3,(H,22,25)(H2,23,24,26)/t17-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide?
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide has a molecular weight of 358.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide is sourced from PubChem (CID 36714136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).