N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide

C18H24N2O2 — CID 97053449

IUPACN-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCc1ccc(CNC(=O)C2=CCCCO2)c(N2CCCC2)c1
InChIInChI=1S/C18H24N2O2/c1-14-7-8-15(16(12-14)20-9-3-4-10-20)13-19-18(21)17-6-2-5-11-22-17/h6-8,12H,2-5,9-11,13H2,1H3,(H,19,21)
InChIKeyACMRDWQNNYNZBO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.91
Rot. Bonds4

About N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 97053449) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID97053449
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCc1ccc(CNC(=O)C2=CCCCO2)c(N2CCCC2)c1
InChIInChI=1S/C18H24N2O2/c1-14-7-8-15(16(12-14)20-9-3-4-10-20)13-19-18(21)17-6-2-5-11-22-17/h6-8,12H,2-5,9-11,13H2,1H3,(H,19,21)
InChIKeyACMRDWQNNYNZBO-UHFFFAOYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 97053449) is N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is Cc1ccc(CNC(=O)C2=CCCCO2)c(N2CCCC2)c1.
What is the InChIKey of N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is ACMRDWQNNYNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14-7-8-15(16(12-14)20-9-3-4-10-20)13-19-18(21)17-6-2-5-11-22-17/h6-8,12H,2-5,9-11,13H2,1H3,(H,19,21).
What are the key properties of N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 97053449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).