3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

C26H37N5O — CID 95086304

IUPAC3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1
InChIInChI=1S/C26H37N5O/c1-20-9-5-6-15-31(20)16-8-14-27-25(32)22-11-7-10-21(17-22)23-18-28-26(29-19-23)30-24-12-3-2-4-13-24/h7,10-11,17-20,24H,2-6,8-9,12-16H2,1H3,(H,27,32)(H,28,29,30)/t20-/m0/s1
InChIKeyUCUMRKLKDZMEAU-FQEVSTJZSA-N
MW435.62 g/mol
LogP4.88
Rot. Bonds8

About 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 95086304) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID95086304
Molecular FormulaC26H37N5O
Molecular Weight435.62 g/mol
Exact Mass435.30
IUPAC Name3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1
InChIInChI=1S/C26H37N5O/c1-20-9-5-6-15-31(20)16-8-14-27-25(32)22-11-7-10-21(17-22)23-18-28-26(29-19-23)30-24-12-3-2-4-13-24/h7,10-11,17-20,24H,2-6,8-9,12-16H2,1H3,(H,27,32)(H,28,29,30)/t20-/m0/s1
InChIKeyUCUMRKLKDZMEAU-FQEVSTJZSA-N
XLogP4.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53010659
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
CID 94120837
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53036766
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473842
6-hydrazinyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 62237824
N-butyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 20972697

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (CID 95086304) is 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is C[C@H]1CCCCN1CCCNC(=O)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1.
What is the InChIKey of 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is UCUMRKLKDZMEAU-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H37N5O/c1-20-9-5-6-15-31(20)16-8-14-27-25(32)22-11-7-10-21(17-22)23-18-28-26(29-19-23)30-24-12-3-2-4-13-24/h7,10-11,17-20,24H,2-6,8-9,12-16H2,1H3,(H,27,32)(H,28,29,30)/t20-/m0/s1.
What are the key properties of 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 435.62 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 95086304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).