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

C27H31FN4O4 — CID 90461224

IUPAC2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C27H31FN4O4/c1-18-4-5-21(30-26(34)19-6-7-29-23(14-19)27(2,3)28)17-22(18)20-15-24(32-8-11-35-12-9-32)31-25(16-20)36-13-10-33/h4-7,14-17,33H,8-13H2,1-3H3,(H,30,34)
InChIKeySDIALWKFQDWRQM-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.12
Rot. Bonds8

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

2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 90461224) 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-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID90461224
Molecular FormulaC27H31FN4O4
Molecular Weight494.57 g/mol
Exact Mass494.23
IUPAC Name2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C27H31FN4O4/c1-18-4-5-21(30-26(34)19-6-7-29-23(14-19)27(2,3)28)17-22(18)20-15-24(32-8-11-35-12-9-32)31-25(16-20)36-13-10-33/h4-7,14-17,33H,8-13H2,1-3H3,(H,30,34)
InChIKeySDIALWKFQDWRQM-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-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 90461224) is 2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is SDIALWKFQDWRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4/c1-18-4-5-21(30-26(34)19-6-7-29-23(14-19)27(2,3)28)17-22(18)20-15-24(32-8-11-35-12-9-32)31-25(16-20)36-13-10-33/h4-7,14-17,33H,8-13H2,1-3H3,(H,30,34).
What are the key properties of 2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-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-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).