3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide

C30H28FN5O3 — CID 24937575

IUPAC3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C30H28FN5O3/c1-20-28(22-4-6-23(7-5-22)29(37)34-18-21-3-2-8-32-17-21)16-26(19-33-20)35-30(38)24-13-25(31)15-27(14-24)36-9-11-39-12-10-36/h2-8,13-17,19H,9-12,18H2,1H3,(H,34,37)(H,35,38)
InChIKeyRHKFUBBDHUPLNY-UHFFFAOYSA-N
MW525.58 g/mol
LogP4.61
Rot. Bonds7

About 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide

3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide (PubChem CID 24937575) has the molecular formula C30H28FN5O3 and a molecular weight of 525.58 g/mol. Its IUPAC name is 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
PubChem CID24937575
Molecular FormulaC30H28FN5O3
Molecular Weight525.58 g/mol
Exact Mass525.22
IUPAC Name3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C30H28FN5O3/c1-20-28(22-4-6-23(7-5-22)29(37)34-18-21-3-2-8-32-17-21)16-26(19-33-20)35-30(38)24-13-25(31)15-27(14-24)36-9-11-39-12-10-36/h2-8,13-17,19H,9-12,18H2,1H3,(H,34,37)(H,35,38)
InChIKeyRHKFUBBDHUPLNY-UHFFFAOYSA-N
XLogP4.61
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.58
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[5-[4-(3-fluoro-5-morpholin-4-ylphenyl)-4-oxobutyl]-2-methyl-3-pyridinyl]benzamide
CID 143628444
5-tert-butyl-2-methoxy-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]benzamide
CID 24937958
1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 91567682
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24936946
3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide
CID 143497671
3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 67373018
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 72913541
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide (CID 24937575) is 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide is Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide?
The InChIKey is RHKFUBBDHUPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O3/c1-20-28(22-4-6-23(7-5-22)29(37)34-18-21-3-2-8-32-17-21)16-26(19-33-20)35-30(38)24-13-25(31)15-27(14-24)36-9-11-39-12-10-36/h2-8,13-17,19H,9-12,18H2,1H3,(H,34,37)(H,35,38).
What are the key properties of 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide?
3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide has a molecular weight of 525.58 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 24937575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).