5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide

C30H28FN5O4 — CID 16665455

IUPAC5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C30H28FN5O4/c1-20-28(30(38)34-24-4-6-27(7-5-24)40-19-21-3-2-8-32-17-21)16-25(18-33-20)35-29(37)22-13-23(31)15-26(14-22)36-9-11-39-12-10-36/h2-8,13-18H,9-12,19H2,1H3,(H,34,38)(H,35,37)
InChIKeyAPJXKEIJMBVCMH-UHFFFAOYSA-N
MW541.58 g/mol
LogP4.84
Rot. Bonds8

About 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide

5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 16665455) has the molecular formula C30H28FN5O4 and a molecular weight of 541.58 g/mol. Its IUPAC name is 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide
PubChem CID16665455
Molecular FormulaC30H28FN5O4
Molecular Weight541.58 g/mol
Exact Mass541.21
IUPAC Name5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C30H28FN5O4/c1-20-28(30(38)34-24-4-6-27(7-5-24)40-19-21-3-2-8-32-17-21)16-25(18-33-20)35-29(37)22-13-23(31)15-26(14-22)36-9-11-39-12-10-36/h2-8,13-18H,9-12,19H2,1H3,(H,34,38)(H,35,37)
InChIKeyAPJXKEIJMBVCMH-UHFFFAOYSA-N
XLogP4.84
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.58
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide (CID 16665455) is 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide is Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is APJXKEIJMBVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O4/c1-20-28(30(38)34-24-4-6-27(7-5-24)40-19-21-3-2-8-32-17-21)16-25(18-33-20)35-29(37)22-13-23(31)15-26(14-22)36-9-11-39-12-10-36/h2-8,13-18H,9-12,19H2,1H3,(H,34,38)(H,35,37).
What are the key properties of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide?
5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 541.58 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-3-ylmethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 16665455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).