N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide

C16H18N2O2 — CID 43595828

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1ccc2ccccc2c1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C16H18N2O2/c1-18(14-9-17-10-15(14)19)16(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,17,19H,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyQITNSTSKPMPJBK-HUUCEWRRSA-N
MW270.33 g/mol
LogP1.24
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide (PubChem CID 43595828) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide
PubChem CID43595828
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1ccc2ccccc2c1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C16H18N2O2/c1-18(14-9-17-10-15(14)19)16(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,17,19H,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyQITNSTSKPMPJBK-HUUCEWRRSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide (CID 43595828) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide is CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is QITNSTSKPMPJBK-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(14-9-17-10-15(14)19)16(20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,17,19H,9-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 43595828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).