6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide

C21H26FN3O2 — CID 167792952

IUPAC6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(CCN2CCOCC2)C1)c1cccc2cc(F)ccc12
InChIInChI=1S/C21H26FN3O2/c22-17-4-5-19-16(14-17)2-1-3-20(19)21(26)23-18-6-7-25(15-18)9-8-24-10-12-27-13-11-24/h1-5,14,18H,6-13,15H2,(H,23,26)
InChIKeyQYFGWZRQZLHRBE-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.12
Rot. Bonds5

About 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide

6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 167792952) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID167792952
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(CCN2CCOCC2)C1)c1cccc2cc(F)ccc12
InChIInChI=1S/C21H26FN3O2/c22-17-4-5-19-16(14-17)2-1-3-20(19)21(26)23-18-6-7-25(15-18)9-8-24-10-12-27-13-11-24/h1-5,14,18H,6-13,15H2,(H,23,26)
InChIKeyQYFGWZRQZLHRBE-UHFFFAOYSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167976644
8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167943617
6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167940374
2-hydroxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167938541
6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050
3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167895695
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
CID 95628573
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414
N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 146083594
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide (CID 167792952) is 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide is O=C(NC1CCN(CCN2CCOCC2)C1)c1cccc2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is QYFGWZRQZLHRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-17-4-5-19-16(14-17)2-1-3-20(19)21(26)23-18-6-7-25(15-18)9-8-24-10-12-27-13-11-24/h1-5,14,18H,6-13,15H2,(H,23,26).
What are the key properties of 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167792952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).