4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide

C21H27N3O2 — CID 126424281

IUPAC4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCC[C@H]3CCCO3)cc2)c(N)n1
InChIInChI=1S/C21H27N3O2/c1-15-7-12-19(20(22)24-15)16-8-10-17(11-9-16)21(25)23-13-3-2-5-18-6-4-14-26-18/h7-12,18H,2-6,13-14H2,1H3,(H2,22,24)(H,23,25)/t18-/m0/s1
InChIKeyNHOZGATVFROYRE-SFHVURJKSA-N
MW353.47 g/mol
LogP3.72
Rot. Bonds7

About 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide

4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide (PubChem CID 126424281) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
PubChem CID126424281
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCC[C@H]3CCCO3)cc2)c(N)n1
InChIInChI=1S/C21H27N3O2/c1-15-7-12-19(20(22)24-15)16-8-10-17(11-9-16)21(25)23-13-3-2-5-18-6-4-14-26-18/h7-12,18H,2-6,13-14H2,1H3,(H2,22,24)(H,23,25)/t18-/m0/s1
InChIKeyNHOZGATVFROYRE-SFHVURJKSA-N
XLogP3.72
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 91781260
7-methyl-N-[4-[(2S)-oxolan-2-yl]butyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126435888
4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide
CID 97306681
1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea
CID 72895591
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 65163508
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
4-(hydroxymethyl)-5-methyl-N-[4-(oxolan-2-yl)butyl]-1,2-oxazole-3-carboxamide
CID 131921315
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
N-[4-[(2R)-oxolan-2-yl]butyl]isoquinoline-1-carboxamide
CID 126435802

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
The IUPAC name of 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide (CID 126424281) is 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide.
What is the SMILES notation for 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
The canonical SMILES for 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide is Cc1ccc(-c2ccc(C(=O)NCCCC[C@H]3CCCO3)cc2)c(N)n1.
What is the InChIKey of 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
The InChIKey is NHOZGATVFROYRE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-7-12-19(20(22)24-15)16-8-10-17(11-9-16)21(25)23-13-3-2-5-18-6-4-14-26-18/h7-12,18H,2-6,13-14H2,1H3,(H2,22,24)(H,23,25)/t18-/m0/s1.
What are the key properties of 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methyl-3-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide is sourced from PubChem (CID 126424281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).