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

C23H27ClN4O2 — CID 178157543

IUPAC3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@@H](CC1CCCC1)C(=O)NC1CC1)c1cccc(Nc2ccncc2Cl)c1
InChIInChI=1S/C23H27ClN4O2/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
InChIKeyBIGBIVWDCJKPIO-NRFANRHFSA-N
MW426.95 g/mol
LogP4.44
Rot. Bonds8

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

3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 178157543) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide
PubChem CID178157543
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@@H](CC1CCCC1)C(=O)NC1CC1)c1cccc(Nc2ccncc2Cl)c1
InChIInChI=1S/C23H27ClN4O2/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
InChIKeyBIGBIVWDCJKPIO-NRFANRHFSA-N
XLogP4.44
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]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-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157914
N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157612
N-[3-cyclopentyl-1-oxo-1-(2-phenylpropan-2-ylamino)propan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157636
N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide
CID 178157713
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-[(1-methylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-3-[(2-morpholin-4-yl-3-pyridinyl)amino]benzamide
CID 178157954
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-pyridin-3-yl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171902488
3-benzoyl-N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723604
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 87849842

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide (CID 178157543) is 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide is O=C(N[C@@H](CC1CCCC1)C(=O)NC1CC1)c1cccc(Nc2ccncc2Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is BIGBIVWDCJKPIO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27ClN4O2/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 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide?
3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 426.95 g/mol, XLogP of 4.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 178157543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).