2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide

C30H36N4O5 — CID 90461092

IUPAC2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C30H36N4O5/c1-20-4-5-23(32-29(35)21-6-9-31-26(16-21)30(2,3)36)19-25(20)22-17-27(34-10-14-38-15-11-34)33-28(18-22)39-24-7-12-37-13-8-24/h4-6,9,16-19,24,36H,7-8,10-15H2,1-3H3,(H,32,35)
InChIKeyBYXXBDVYEKKNKK-UHFFFAOYSA-N
MW532.64 g/mol
LogP4.33
Rot. Bonds7

About 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide

2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide (PubChem CID 90461092) has the molecular formula C30H36N4O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide
PubChem CID90461092
Molecular FormulaC30H36N4O5
Molecular Weight532.64 g/mol
Exact Mass532.27
IUPAC Name2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C30H36N4O5/c1-20-4-5-23(32-29(35)21-6-9-31-26(16-21)30(2,3)36)19-25(20)22-17-27(34-10-14-38-15-11-34)33-28(18-22)39-24-7-12-37-13-8-24/h4-6,9,16-19,24,36H,7-8,10-15H2,1-3H3,(H,32,35)
InChIKeyBYXXBDVYEKKNKK-UHFFFAOYSA-N
XLogP4.33
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide (CID 90461092) is 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide?
The InChIKey is BYXXBDVYEKKNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5/c1-20-4-5-23(32-29(35)21-6-9-31-26(16-21)30(2,3)36)19-25(20)22-17-27(34-10-14-38-15-11-34)33-28(18-22)39-24-7-12-37-13-8-24/h4-6,9,16-19,24,36H,7-8,10-15H2,1-3H3,(H,32,35).
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide?
2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide has a molecular weight of 532.64 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).