N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide

C16H18N2O2 — CID 43594014

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O2/c1-20-15-10-17-9-14(15)18-16(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,17H,9-10H2,1H3,(H,18,19)/t14?,15-/m0/s1
InChIKeyLQQIWCLWDRAYQF-LOACHALJSA-N
MW270.33 g/mol
LogP1.56
Rot. Bonds3

About N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide

N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide (PubChem CID 43594014) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
PubChem CID43594014
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18N2O2/c1-20-15-10-17-9-14(15)18-16(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,17H,9-10H2,1H3,(H,18,19)/t14?,15-/m0/s1
InChIKeyLQQIWCLWDRAYQF-LOACHALJSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 115354184
N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
CID 76975241
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
4-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-nitrobenzamide
CID 43594209
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893256
N-(4-methoxypyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 74883497
acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
CID 154910821
2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594211
N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 74883319
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 43594183
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594205
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 62881760

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide (CID 43594014) is N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide is CO[C@H]1CNCC1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide?
The InChIKey is LQQIWCLWDRAYQF-LOACHALJSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-15-10-17-9-14(15)18-16(19)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,17H,9-10H2,1H3,(H,18,19)/t14?,15-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 43594014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).