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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Related Compounds

N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90408826
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
5-({3-[4-(Morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide
CID 121231415
6-Fluoro-n-((r)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide
CID 44511934
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[5-[6-[(3R,4S)-3-fluorooxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609669
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118870913
N-[2-methyl-5-(3-morpholinobenzamido)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 22291085
example 31 [WO2018183145]
CID 135349311
N-[4-methyl-3-[[4-(pyridin-4-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide
CID 44395161
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
6-fluoro-N-[(3R)-3-[4-[4-(2-methoxyethoxy)-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 44512349

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).