4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide

C26H29FN4O3 — CID 90460830

IUPAC4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)F)ccn2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C26H29FN4O3/c1-17-5-6-20(29-24(32)22-14-19(7-8-28-22)26(2,3)27)15-21(17)18-13-23(25(33)30(4)16-18)31-9-11-34-12-10-31/h5-8,13-16H,9-12H2,1-4H3,(H,29,32)
InChIKeyUJHLSQCUCRSAOO-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.05
Rot. Bonds5

About 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide

4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide (PubChem CID 90460830) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide
PubChem CID90460830
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)F)ccn2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C26H29FN4O3/c1-17-5-6-20(29-24(32)22-14-19(7-8-28-22)26(2,3)27)15-21(17)18-13-23(25(33)30(4)16-18)31-9-11-34-12-10-31/h5-8,13-16H,9-12H2,1-4H3,(H,29,32)
InChIKeyUJHLSQCUCRSAOO-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 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide (CID 90460830) is 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(C(C)(C)F)ccn2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide?
The InChIKey is UJHLSQCUCRSAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-17-5-6-20(29-24(32)22-14-19(7-8-28-22)26(2,3)27)15-21(17)18-13-23(25(33)30(4)16-18)31-9-11-34-12-10-31/h5-8,13-16H,9-12H2,1-4H3,(H,29,32).
What are the key properties of 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide?
4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-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 4-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 90460830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).