2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide

C26H29FN4O3 — CID 90461159

IUPAC2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
InChIInChI=1S/C26H29FN4O3/c1-17-5-6-20(29-25(33)18-7-8-28-22(13-18)26(2,3)27)16-21(17)19-14-23(30(4)24(32)15-19)31-9-11-34-12-10-31/h5-8,13-16H,9-12H2,1-4H3,(H,29,33)
InChIKeyQBSGBBKYIBHYLQ-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide

2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide (PubChem CID 90461159) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide
PubChem CID90461159
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
InChIInChI=1S/C26H29FN4O3/c1-17-5-6-20(29-25(33)18-7-8-28-22(13-18)26(2,3)27)16-21(17)19-14-23(30(4)24(32)15-19)31-9-11-34-12-10-31/h5-8,13-16H,9-12H2,1-4H3,(H,29,33)
InChIKeyQBSGBBKYIBHYLQ-UHFFFAOYSA-N
XLogP4.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide (CID 90461159) is 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide?
The InChIKey is QBSGBBKYIBHYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-17-5-6-20(29-25(33)18-7-8-28-22(13-18)26(2,3)27)16-21(17)19-14-23(30(4)24(32)15-19)31-9-11-34-12-10-31/h5-8,13-16H,9-12H2,1-4H3,(H,29,33).
What are the key properties of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).