(3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide

C19H23FN4O — CID 124515076

IUPAC(3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide
SMILESC[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C19H23FN4O/c1-14(12-19(25)23-16-7-5-15(20)6-8-16)22-17-9-11-24(13-17)18-4-2-3-10-21-18/h2-8,10,14,17,22H,9,11-13H2,1H3,(H,23,25)/t14-,17-/m0/s1
InChIKeyZTTDONYSISDQJX-YOEHRIQHSA-N
MW342.42 g/mol
LogP2.81
Rot. Bonds6

About (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide

(3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide (PubChem CID 124515076) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide.

Molecular Properties

Compound Name(3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide
PubChem CID124515076
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide
SMILESC[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C19H23FN4O/c1-14(12-19(25)23-16-7-5-15(20)6-8-16)22-17-9-11-24(13-17)18-4-2-3-10-21-18/h2-8,10,14,17,22H,9,11-13H2,1H3,(H,23,25)/t14-,17-/m0/s1
InChIKeyZTTDONYSISDQJX-YOEHRIQHSA-N
XLogP2.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]acetamide
CID 49255389
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
4-(4-fluoroanilino)-4-oxo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]butanoic acid
CID 52996743
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 51143754
1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 97241202
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide?
The IUPAC name of (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide (CID 124515076) is (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide.
What is the SMILES notation for (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide?
The canonical SMILES for (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide is C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CCN(c2ccccn2)C1.
What is the InChIKey of (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide?
The InChIKey is ZTTDONYSISDQJX-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14(12-19(25)23-16-7-5-15(20)6-8-16)22-17-9-11-24(13-17)18-4-2-3-10-21-18/h2-8,10,14,17,22H,9,11-13H2,1H3,(H,23,25)/t14-,17-/m0/s1.
What are the key properties of (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide?
(3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide has a molecular weight of 342.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-fluorophenyl)-3-[[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]amino]butanamide is sourced from PubChem (CID 124515076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).