N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide

C18H22N2O — CID 45487774

IUPACN-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc2ccccc2c1)[C@@H]1CCNC1
InChIInChI=1S/C18H22N2O/c1-13(2)20(17-9-10-19-12-17)18(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,19H,9-10,12H2,1-2H3/t17-/m1/s1
InChIKeyZQHFQDYTXXQENI-QGZVFWFLSA-N
MW282.39 g/mol
LogP3.05
Rot. Bonds3

About N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide

N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide (PubChem CID 45487774) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide
PubChem CID45487774
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc2ccccc2c1)[C@@H]1CCNC1
InChIInChI=1S/C18H22N2O/c1-13(2)20(17-9-10-19-12-17)18(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,19H,9-10,12H2,1-2H3/t17-/m1/s1
InChIKeyZQHFQDYTXXQENI-QGZVFWFLSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide (CID 45487774) is N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide is CC(C)N(C(=O)c1ccc2ccccc2c1)[C@@H]1CCNC1.
What is the InChIKey of N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
The InChIKey is ZQHFQDYTXXQENI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)20(17-9-10-19-12-17)18(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,19H,9-10,12H2,1-2H3/t17-/m1/s1.
What are the key properties of N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 45487774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).