N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide

C30H27FN4O4 — CID 123289506

IUPACN-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Cc1ccccc1)c1cccnc1Cc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1
InChIInChI=1S/C30H27FN4O4/c31-25-17-22(18-26-24(7-4-11-32-26)27(36)19-21-5-2-1-3-6-21)8-9-28(25)39-23-10-12-33-29(20-23)34-30(37)35-13-15-38-16-14-35/h1-12,17,20H,13-16,18-19H2,(H,33,34,37)
InChIKeyHTLYLUXKAZYJNX-UHFFFAOYSA-N
MW526.57 g/mol
LogP5.29
Rot. Bonds8

About N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide

N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 123289506) has the molecular formula C30H27FN4O4 and a molecular weight of 526.57 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
PubChem CID123289506
Molecular FormulaC30H27FN4O4
Molecular Weight526.57 g/mol
Exact Mass526.20
IUPAC NameN-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESO=C(Cc1ccccc1)c1cccnc1Cc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1
InChIInChI=1S/C30H27FN4O4/c31-25-17-22(18-26-24(7-4-11-32-26)27(36)19-21-5-2-1-3-6-21)8-9-28(25)39-23-10-12-33-29(20-23)34-30(37)35-13-15-38-16-14-35/h1-12,17,20H,13-16,18-19H2,(H,33,34,37)
InChIKeyHTLYLUXKAZYJNX-UHFFFAOYSA-N
XLogP5.29
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide with MolForge

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Related Compounds

Amg-487
CID 24957182
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
Pyrrolo-pyrimidone, 17
CID 135524085
4-[6-(4-morpholin-4-ylbut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280705
4-[6-(5-morpholin-4-ylpent-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 145059705
2-[benzyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 25218728
6-[[5-fluoro-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 127040232
4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]benzamide
CID 16070216
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 57406788
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 57407347
2-((3-fluorophenoxy)methyl)-6-(5-fluoropyridin-2-yl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008189

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide (CID 123289506) is N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide is O=C(Cc1ccccc1)c1cccnc1Cc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1.
What is the InChIKey of N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is HTLYLUXKAZYJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O4/c31-25-17-22(18-26-24(7-4-11-32-26)27(36)19-21-5-2-1-3-6-21)8-9-28(25)39-23-10-12-33-29(20-23)34-30(37)35-13-15-38-16-14-35/h1-12,17,20H,13-16,18-19H2,(H,33,34,37).
What are the key properties of N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 526.57 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 123289506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).