N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide

C16H18N2O — CID 63006320

IUPACN-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)C1CCNC1
InChIInChI=1S/C16H18N2O/c19-16(14-8-9-17-10-14)18-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,17H,8-11H2,(H,18,19)
InChIKeyKCNRVQSYRFTEIZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.07
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide

N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 63006320) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID63006320
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)C1CCNC1
InChIInChI=1S/C16H18N2O/c19-16(14-8-9-17-10-14)18-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,17H,8-11H2,(H,18,19)
InChIKeyKCNRVQSYRFTEIZ-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006596
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119895713
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
CID 22719668
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide (CID 63006320) is N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccc2ccccc12)C1CCNC1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is KCNRVQSYRFTEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(14-8-9-17-10-14)18-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,17H,8-11H2,(H,18,19).
What are the key properties of N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide?
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).