N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide

C15H22N2O2 — CID 125438544

IUPACN-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCOCC1)c1ncccc1C
InChIInChI=1S/C15H22N2O2/c1-3-13(14-11(2)5-4-8-16-14)17-15(18)12-6-9-19-10-7-12/h4-5,8,12-13H,3,6-7,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyPMYJTEBSDGFLSB-ZDUSSCGKSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds4

About N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide

N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide (PubChem CID 125438544) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide
PubChem CID125438544
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCOCC1)c1ncccc1C
InChIInChI=1S/C15H22N2O2/c1-3-13(14-11(2)5-4-8-16-14)17-15(18)12-6-9-19-10-7-12/h4-5,8,12-13H,3,6-7,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyPMYJTEBSDGFLSB-ZDUSSCGKSA-N
XLogP2.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide (CID 125438544) is N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide is CC[C@H](NC(=O)C1CCOCC1)c1ncccc1C.
What is the InChIKey of N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide?
The InChIKey is PMYJTEBSDGFLSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13(14-11(2)5-4-8-16-14)17-15(18)12-6-9-19-10-7-12/h4-5,8,12-13H,3,6-7,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide?
N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]oxane-4-carboxamide is sourced from PubChem (CID 125438544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).