N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide

C20H23FN4O3 — CID 46968940

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C20H23FN4O3/c21-17-14-16(1-2-18(17)24-5-9-27-10-6-24)23-20(26)15-3-4-22-19(13-15)25-7-11-28-12-8-25/h1-4,13-14H,5-12H2,(H,23,26)
InChIKeyLVNVCXPGYNRTBK-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.15
Rot. Bonds4

About N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide

N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 46968940) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID46968940
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C20H23FN4O3/c21-17-14-16(1-2-18(17)24-5-9-27-10-6-24)23-20(26)15-3-4-22-19(13-15)25-7-11-28-12-8-25/h1-4,13-14H,5-12H2,(H,23,26)
InChIKeyLVNVCXPGYNRTBK-UHFFFAOYSA-N
XLogP2.15
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 56500087
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 48795694
tert-butyl N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamate
CID 56500216
N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117072761
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide
CID 166261890

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide (CID 46968940) is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is LVNVCXPGYNRTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-17-14-16(1-2-18(17)24-5-9-27-10-6-24)23-20(26)15-3-4-22-19(13-15)25-7-11-28-12-8-25/h1-4,13-14H,5-12H2,(H,23,26).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 46968940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).