4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine

C22H26N6O — CID 171540161

IUPAC4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine
SMILESc1cnc2c(N3CCC[C@@H](Nc4cc(N5CCOCC5)ccn4)C3)nccc2c1
InChIInChI=1S/C22H26N6O/c1-3-17-5-8-25-22(21(17)24-7-1)28-10-2-4-18(16-28)26-20-15-19(6-9-23-20)27-11-13-29-14-12-27/h1,3,5-9,15,18H,2,4,10-14,16H2,(H,23,26)/t18-/m1/s1
InChIKeyMKGBLTWAMHVDGI-GOSISDBHSA-N
MW390.49 g/mol
LogP2.94
Rot. Bonds4

About 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine

4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine (PubChem CID 171540161) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine
PubChem CID171540161
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine
SMILESc1cnc2c(N3CCC[C@@H](Nc4cc(N5CCOCC5)ccn4)C3)nccc2c1
InChIInChI=1S/C22H26N6O/c1-3-17-5-8-25-22(21(17)24-7-1)28-10-2-4-18(16-28)26-20-15-19(6-9-23-20)27-11-13-29-14-12-27/h1,3,5-9,15,18H,2,4,10-14,16H2,(H,23,26)/t18-/m1/s1
InChIKeyMKGBLTWAMHVDGI-GOSISDBHSA-N
XLogP2.94
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine (CID 171540161) is 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine is c1cnc2c(N3CCC[C@@H](Nc4cc(N5CCOCC5)ccn4)C3)nccc2c1.
What is the InChIKey of 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine?
The InChIKey is MKGBLTWAMHVDGI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N6O/c1-3-17-5-8-25-22(21(17)24-7-1)28-10-2-4-18(16-28)26-20-15-19(6-9-23-20)27-11-13-29-14-12-27/h1,3,5-9,15,18H,2,4,10-14,16H2,(H,23,26)/t18-/m1/s1.
What are the key properties of 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine?
4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 171540161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).