N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide

C23H32N4O2 — CID 92583236

IUPACN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)C1
InChIInChI=1S/C23H32N4O2/c1-16-11-17(2)15-27(14-16)8-7-25-23(28)22-12-19(18-4-9-29-10-5-18)20-13-24-6-3-21(20)26-22/h3,6,12-13,16-18H,4-5,7-11,14-15H2,1-2H3,(H,25,28)/t16-,17-/m1/s1
InChIKeyBDYPUITYUCIVNT-IAGOWNOFSA-N
MW396.54 g/mol
LogP3.23
Rot. Bonds5

About N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide (PubChem CID 92583236) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
PubChem CID92583236
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)C1
InChIInChI=1S/C23H32N4O2/c1-16-11-17(2)15-27(14-16)8-7-25-23(28)22-12-19(18-4-9-29-10-5-18)20-13-24-6-3-21(20)26-22/h3,6,12-13,16-18H,4-5,7-11,14-15H2,1-2H3,(H,25,28)/t16-,17-/m1/s1
InChIKeyBDYPUITYUCIVNT-IAGOWNOFSA-N
XLogP3.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide (CID 92583236) is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide is C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)C1.
What is the InChIKey of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is BDYPUITYUCIVNT-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-11-17(2)15-27(14-16)8-7-25-23(28)22-12-19(18-4-9-29-10-5-18)20-13-24-6-3-21(20)26-22/h3,6,12-13,16-18H,4-5,7-11,14-15H2,1-2H3,(H,25,28)/t16-,17-/m1/s1.
What are the key properties of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide?
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-4-(oxan-4-yl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 92583236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).