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

C26H30FN5O4 — CID 118887144

IUPAC2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C26H30FN5O4/c1-17-21(19-13-23(32-6-9-35-10-7-32)31-24(14-19)36-11-8-33)15-20(16-29-17)30-25(34)18-4-5-28-22(12-18)26(2,3)27/h4-5,12-16,33H,6-11H2,1-3H3,(H,30,34)
InChIKeyMNPAQRCUBVZOHT-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.51
Rot. Bonds8

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

2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118887144) has the molecular formula C26H30FN5O4 and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118887144
Molecular FormulaC26H30FN5O4
Molecular Weight495.56 g/mol
Exact Mass495.23
IUPAC Name2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C26H30FN5O4/c1-17-21(19-13-23(32-6-9-35-10-7-32)31-24(14-19)36-11-8-33)15-20(16-29-17)30-25(34)18-4-5-28-22(12-18)26(2,3)27/h4-5,12-16,33H,6-11H2,1-3H3,(H,30,34)
InChIKeyMNPAQRCUBVZOHT-UHFFFAOYSA-N
XLogP3.51
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (CID 118887144) is 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(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-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is MNPAQRCUBVZOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4/c1-17-21(19-13-23(32-6-9-35-10-7-32)31-24(14-19)36-11-8-33)15-20(16-29-17)30-25(34)18-4-5-28-22(12-18)26(2,3)27/h4-5,12-16,33H,6-11H2,1-3H3,(H,30,34).
What are the key properties of 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118887144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).