2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

C27H31FN4O4 — CID 90461361

IUPAC2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C27H31FN4O4/c1-18-4-5-21(31-25(34)19-6-7-29-24(15-19)27(2,3)28)16-22(18)20-14-23(32-8-11-35-12-9-32)26(30-17-20)36-13-10-33/h4-7,14-17,33H,8-13H2,1-3H3,(H,31,34)
InChIKeyIIFWSFBWNGNUAF-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.12
Rot. Bonds8

About 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 90461361) has the molecular formula C27H31FN4O4 and a molecular weight of 494.57 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID90461361
Molecular FormulaC27H31FN4O4
Molecular Weight494.57 g/mol
Exact Mass494.23
IUPAC Name2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C27H31FN4O4/c1-18-4-5-21(31-25(34)19-6-7-29-24(15-19)27(2,3)28)16-22(18)20-14-23(32-8-11-35-12-9-32)26(30-17-20)36-13-10-33/h4-7,14-17,33H,8-13H2,1-3H3,(H,31,34)
InChIKeyIIFWSFBWNGNUAF-UHFFFAOYSA-N
XLogP4.12
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 90461361) is 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is IIFWSFBWNGNUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4/c1-18-4-5-21(31-25(34)19-6-7-29-24(15-19)27(2,3)28)16-22(18)20-14-23(32-8-11-35-12-9-32)26(30-17-20)36-13-10-33/h4-7,14-17,33H,8-13H2,1-3H3,(H,31,34).
What are the key properties of 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).