4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide

C22H28ClN5O2 — CID 55857815

IUPAC4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H28ClN5O2/c1-15(2)13-19(27-20(29)16-6-8-17(23)9-7-16)21(30)26-18-5-3-12-28(14-18)22-24-10-4-11-25-22/h4,6-11,15,18-19H,3,5,12-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySCPHQNKICWLESH-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.06
Rot. Bonds7

About 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide

4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide (PubChem CID 55857815) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide
PubChem CID55857815
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H28ClN5O2/c1-15(2)13-19(27-20(29)16-6-8-17(23)9-7-16)21(30)26-18-5-3-12-28(14-18)22-24-10-4-11-25-22/h4,6-11,15,18-19H,3,5,12-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySCPHQNKICWLESH-UHFFFAOYSA-N
XLogP3.06
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide with MolForge

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Related Compounds

4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60572049
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 22444822
(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
CID 61179360
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648880
4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
1-ethyl-3-(2-methylpropyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-5-carboxamide
CID 56887725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide (CID 55857815) is 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide?
The InChIKey is SCPHQNKICWLESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-15(2)13-19(27-20(29)16-6-8-17(23)9-7-16)21(30)26-18-5-3-12-28(14-18)22-24-10-4-11-25-22/h4,6-11,15,18-19H,3,5,12-14H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide?
4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide has a molecular weight of 429.95 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methyl-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pentan-2-yl]benzamide is sourced from PubChem (CID 55857815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).