4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide

C21H21FN4O2 — CID 66615149

IUPAC4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]1)C1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C21H21FN4O2/c22-18-4-2-1-3-16(18)13-26-9-10-28-19(14-26)21(27)25-20-11-17(12-24-20)15-5-7-23-8-6-15/h1-8,11-12,19,24H,9-10,13-14H2,(H,25,27)
InChIKeyAROKAGFMRDECKF-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.06
Rot. Bonds5

About 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide

4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide (PubChem CID 66615149) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide
PubChem CID66615149
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]1)C1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C21H21FN4O2/c22-18-4-2-1-3-16(18)13-26-9-10-28-19(14-26)21(27)25-20-11-17(12-24-20)15-5-7-23-8-6-15/h1-8,11-12,19,24H,9-10,13-14H2,(H,25,27)
InChIKeyAROKAGFMRDECKF-UHFFFAOYSA-N
XLogP3.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide (CID 66615149) is 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide is O=C(Nc1cc(-c2ccncc2)c[nH]1)C1CN(Cc2ccccc2F)CCO1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide?
The InChIKey is AROKAGFMRDECKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-18-4-2-1-3-16(18)13-26-9-10-28-19(14-26)21(27)25-20-11-17(12-24-20)15-5-7-23-8-6-15/h1-8,11-12,19,24H,9-10,13-14H2,(H,25,27).
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide?
4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 66615149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).