N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide

C23H27FN4O2 — CID 178157559

IUPACN-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
SMILESO=C(N[C@@H](CC1CCCC1)C(=O)NC1CC1)c1cccc(Nc2ccncc2F)c1
InChIInChI=1S/C23H27FN4O2/c24-19-14-25-11-10-20(19)26-18-7-3-6-16(13-18)22(29)28-21(12-15-4-1-2-5-15)23(30)27-17-8-9-17/h3,6-7,10-11,13-15,17,21H,1-2,4-5,8-9,12H2,(H,25,26)(H,27,30)(H,28,29)/t21-/m0/s1
InChIKeyMDGCBVRPODSDPJ-NRFANRHFSA-N
MW410.49 g/mol
LogP3.92
Rot. Bonds8

About N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide

N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide (PubChem CID 178157559) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
PubChem CID178157559
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
SMILESO=C(N[C@@H](CC1CCCC1)C(=O)NC1CC1)c1cccc(Nc2ccncc2F)c1
InChIInChI=1S/C23H27FN4O2/c24-19-14-25-11-10-20(19)26-18-7-3-6-16(13-18)22(29)28-21(12-15-4-1-2-5-15)23(30)27-17-8-9-17/h3,6-7,10-11,13-15,17,21H,1-2,4-5,8-9,12H2,(H,25,26)(H,27,30)(H,28,29)/t21-/m0/s1
InChIKeyMDGCBVRPODSDPJ-NRFANRHFSA-N
XLogP3.92
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?
The IUPAC name of N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide (CID 178157559) is N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide.
What is the SMILES notation for N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?
The canonical SMILES for N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide is O=C(N[C@@H](CC1CCCC1)C(=O)NC1CC1)c1cccc(Nc2ccncc2F)c1.
What is the InChIKey of N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?
The InChIKey is MDGCBVRPODSDPJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27FN4O2/c24-19-14-25-11-10-20(19)26-18-7-3-6-16(13-18)22(29)28-21(12-15-4-1-2-5-15)23(30)27-17-8-9-17/h3,6-7,10-11,13-15,17,21H,1-2,4-5,8-9,12H2,(H,25,26)(H,27,30)(H,28,29)/t21-/m0/s1.
What are the key properties of N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?
N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide has a molecular weight of 410.49 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide is sourced from PubChem (CID 178157559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).