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

C23H27FN4O3 — CID 178157914

IUPACN-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
SMILESO=C(NC(CC1CCCC1)C(=O)NC1COC1)c1cccc(Nc2ccncc2F)c1
InChIInChI=1S/C23H27FN4O3/c24-19-12-25-9-8-20(19)26-17-7-3-6-16(11-17)22(29)28-21(10-15-4-1-2-5-15)23(30)27-18-13-31-14-18/h3,6-9,11-12,15,18,21H,1-2,4-5,10,13-14H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyDTMTYAFAECEJGT-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.16
Rot. Bonds8

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

N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide (PubChem CID 178157914) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide.

Molecular Properties

Compound NameN-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
PubChem CID178157914
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC NameN-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
SMILESO=C(NC(CC1CCCC1)C(=O)NC1COC1)c1cccc(Nc2ccncc2F)c1
InChIInChI=1S/C23H27FN4O3/c24-19-12-25-9-8-20(19)26-17-7-3-6-16(11-17)22(29)28-21(10-15-4-1-2-5-15)23(30)27-18-13-31-14-18/h3,6-9,11-12,15,18,21H,1-2,4-5,10,13-14H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyDTMTYAFAECEJGT-UHFFFAOYSA-N
XLogP3.16
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157559
N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157612
3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide
CID 178157543
N-[3-cyclopentyl-1-oxo-1-(2-phenylpropan-2-ylamino)propan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157636
N-[(2S)-1-[[(Z,2R)-4-amino-3-(methyliminomethyl)but-3-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide;molecular hydrogen
CID 178157990
N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide
CID 178157713
N-[3-cyclopentyl-1-[(1-methylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-3-[(2-morpholin-4-yl-3-pyridinyl)amino]benzamide
CID 178157954
3-[(3-fluoro-4-pyridinyl)amino]-N-[2-[3-(2-hydroxypropan-2-yl)anilino]-2-oxoethyl]benzamide;methylcyclopentane
CID 178157985
N-[1-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-pyridin-3-yloxybenzamide
CID 178157902
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424566
5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 174229380
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 87849842

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?
The IUPAC name of N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide (CID 178157914) is N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide.
What is the SMILES notation for N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?
The canonical SMILES for N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide is O=C(NC(CC1CCCC1)C(=O)NC1COC1)c1cccc(Nc2ccncc2F)c1.
What is the InChIKey of N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?
The InChIKey is DTMTYAFAECEJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-19-12-25-9-8-20(19)26-17-7-3-6-16(11-17)22(29)28-21(10-15-4-1-2-5-15)23(30)27-18-13-31-14-18/h3,6-9,11-12,15,18,21H,1-2,4-5,10,13-14H2,(H,25,26)(H,27,30)(H,28,29).
What are the key properties of N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide?
N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide has a molecular weight of 426.49 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide is sourced from PubChem (CID 178157914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).