N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

C23H19FN4O2 — CID 55964061

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(C)n1-c1ccccn1
InChIInChI=1S/C23H19FN4O2/c1-15-13-20(16(2)28(15)21-5-3-4-12-25-21)23(29)27-18-8-11-22(26-14-18)30-19-9-6-17(24)7-10-19/h3-14H,1-2H3,(H,27,29)
InChIKeyBSJVVWIPULOVCD-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.07
Rot. Bonds5

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 55964061) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID55964061
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(C)n1-c1ccccn1
InChIInChI=1S/C23H19FN4O2/c1-15-13-20(16(2)28(15)21-5-3-4-12-25-21)23(29)27-18-8-11-22(26-14-18)30-19-9-6-17(24)7-10-19/h3-14H,1-2H3,(H,27,29)
InChIKeyBSJVVWIPULOVCD-UHFFFAOYSA-N
XLogP5.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55959337
5-methyl-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100610981
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55962909
2,5-dimethyl-1-pyridin-2-yl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrole-3-carboxamide
CID 43066858
2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55838019
methyl N-[4-[[(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]methyl]phenyl]carbamate
CID 55846828
N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 75375551
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 55713973
N-[(Z)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylideneamino]-4-fluorobenzamide
CID 126254282
1-(4-fluorophenyl)-2,5-dimethyl-N-pyridin-4-ylpyrrole-3-carboxamide
CID 39954277
2-chloro-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55714162
3-(difluoromethoxy)-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
CID 55713821

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (CID 55964061) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(C)n1-c1ccccn1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is BSJVVWIPULOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-15-13-20(16(2)28(15)21-5-3-4-12-25-21)23(29)27-18-8-11-22(26-14-18)30-19-9-6-17(24)7-10-19/h3-14H,1-2H3,(H,27,29).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 55964061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).