6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide

C30H28FN5O4 — CID 69457986

IUPAC6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)ccc1C(=O)Nc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C30H28FN5O4/c1-20-27(30(38)34-23-5-7-26(8-6-23)40-19-24-4-2-3-11-32-24)9-10-28(33-20)35-29(37)21-16-22(31)18-25(17-21)36-12-14-39-15-13-36/h2-11,16-18H,12-15,19H2,1H3,(H,34,38)(H,33,35,37)
InChIKeyDCTIRHMHLNPLCR-UHFFFAOYSA-N
MW541.58 g/mol
LogP4.84
Rot. Bonds8

About 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide

6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 69457986) has the molecular formula C30H28FN5O4 and a molecular weight of 541.58 g/mol. Its IUPAC name is 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
PubChem CID69457986
Molecular FormulaC30H28FN5O4
Molecular Weight541.58 g/mol
Exact Mass541.21
IUPAC Name6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)ccc1C(=O)Nc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C30H28FN5O4/c1-20-27(30(38)34-23-5-7-26(8-6-23)40-19-24-4-2-3-11-32-24)9-10-28(33-20)35-29(37)21-16-22(31)18-25(17-21)36-12-14-39-15-13-36/h2-11,16-18H,12-15,19H2,1H3,(H,34,38)(H,33,35,37)
InChIKeyDCTIRHMHLNPLCR-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 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide (CID 69457986) is 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide is Cc1nc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)ccc1C(=O)Nc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is DCTIRHMHLNPLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O4/c1-20-27(30(38)34-23-5-7-26(8-6-23)40-19-24-4-2-3-11-32-24)9-10-28(33-20)35-29(37)21-16-22(31)18-25(17-21)36-12-14-39-15-13-36/h2-11,16-18H,12-15,19H2,1H3,(H,34,38)(H,33,35,37).
What are the key properties of 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide?
6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-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 6-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 69457986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).