N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide

C15H20N2O2 — CID 97234715

IUPACN-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@H](CNC(=O)C1=CCCCO1)Nc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-12(17-13-7-3-2-4-8-13)11-16-15(18)14-9-5-6-10-19-14/h2-4,7-9,12,17H,5-6,10-11H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyCGCQYOKMRUGGSQ-GFCCVEGCSA-N
MW260.34 g/mol
LogP2.30
Rot. Bonds5

About N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 97234715) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID97234715
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@H](CNC(=O)C1=CCCCO1)Nc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-12(17-13-7-3-2-4-8-13)11-16-15(18)14-9-5-6-10-19-14/h2-4,7-9,12,17H,5-6,10-11H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyCGCQYOKMRUGGSQ-GFCCVEGCSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 97234715) is N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide is C[C@H](CNC(=O)C1=CCCCO1)Nc1ccccc1.
What is the InChIKey of N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is CGCQYOKMRUGGSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(17-13-7-3-2-4-8-13)11-16-15(18)14-9-5-6-10-19-14/h2-4,7-9,12,17H,5-6,10-11H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 97234715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).