6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile

C26H28N4O2 — CID 90428885

IUPAC6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(=O)N1c2ccc(C3=CCOCC3)cc2[C@H](Nc2ccc(C#N)cn2)[C@@H](C)[C@H]1C1CC1
InChIInChI=1S/C26H28N4O2/c1-16-25(29-24-8-3-18(14-27)15-28-24)22-13-21(19-9-11-32-12-10-19)6-7-23(22)30(17(2)31)26(16)20-4-5-20/h3,6-9,13,15-16,20,25-26H,4-5,10-12H2,1-2H3,(H,28,29)/t16-,25-,26+/m1/s1
InChIKeyAJONTXGMFZCBNV-MYFBNQOLSA-N
MW428.54 g/mol
LogP4.69
Rot. Bonds4

About 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile

6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 90428885) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID90428885
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(=O)N1c2ccc(C3=CCOCC3)cc2[C@H](Nc2ccc(C#N)cn2)[C@@H](C)[C@H]1C1CC1
InChIInChI=1S/C26H28N4O2/c1-16-25(29-24-8-3-18(14-27)15-28-24)22-13-21(19-9-11-32-12-10-19)6-7-23(22)30(17(2)31)26(16)20-4-5-20/h3,6-9,13,15-16,20,25-26H,4-5,10-12H2,1-2H3,(H,28,29)/t16-,25-,26+/m1/s1
InChIKeyAJONTXGMFZCBNV-MYFBNQOLSA-N
XLogP4.69
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile (CID 90428885) is 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile is CC(=O)N1c2ccc(C3=CCOCC3)cc2[C@H](Nc2ccc(C#N)cn2)[C@@H](C)[C@H]1C1CC1.
What is the InChIKey of 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is AJONTXGMFZCBNV-MYFBNQOLSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-16-25(29-24-8-3-18(14-27)15-28-24)22-13-21(19-9-11-32-12-10-19)6-7-23(22)30(17(2)31)26(16)20-4-5-20/h3,6-9,13,15-16,20,25-26H,4-5,10-12H2,1-2H3,(H,28,29)/t16-,25-,26+/m1/s1.
What are the key properties of 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 428.54 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 90428885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).