N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide

C23H24N2O — CID 31644651

IUPACN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O/c26-23(22-13-7-11-18-8-3-4-12-21(18)22)24-16-19-9-1-2-10-20(19)17-25-14-5-6-15-25/h1-4,7-13H,5-6,14-17H2,(H,24,26)
InChIKeyCXXCSXWPGBPNGN-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.37
Rot. Bonds5

About N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide

N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide (PubChem CID 31644651) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
PubChem CID31644651
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O/c26-23(22-13-7-11-18-8-3-4-12-21(18)22)24-16-19-9-1-2-10-20(19)17-25-14-5-6-15-25/h1-4,7-13H,5-6,14-17H2,(H,24,26)
InChIKeyCXXCSXWPGBPNGN-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55615606
5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 35979072
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
3-methyl-2-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17499796
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
2,5-dimethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide
CID 24551030
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55725408
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
CID 24551039
2-ethoxy-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 24551423
2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide (CID 31644651) is N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide is O=C(NCc1ccccc1CN1CCCC1)c1cccc2ccccc12.
What is the InChIKey of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide?
The InChIKey is CXXCSXWPGBPNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23(22-13-7-11-18-8-3-4-12-21(18)22)24-16-19-9-1-2-10-20(19)17-25-14-5-6-15-25/h1-4,7-13H,5-6,14-17H2,(H,24,26).
What are the key properties of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide?
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 31644651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).