N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide

C23H27N3O3 — CID 138033575

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)N1CCC2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C23H27N3O3/c1-16-14-17(2)25-21(28-3)19(16)15-24-22(27)26-12-10-23(11-13-26)9-8-18-6-4-5-7-20(18)29-23/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyIWIUOSVYVBHXSQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.86
Rot. Bonds3

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 138033575) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID138033575
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)N1CCC2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C23H27N3O3/c1-16-14-17(2)25-21(28-3)19(16)15-24-22(27)26-12-10-23(11-13-26)9-8-18-6-4-5-7-20(18)29-23/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyIWIUOSVYVBHXSQ-UHFFFAOYSA-N
XLogP3.86
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide (CID 138033575) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide is COc1nc(C)cc(C)c1CNC(=O)N1CCC2(C=Cc3ccccc3O2)CC1.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is IWIUOSVYVBHXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-14-17(2)25-21(28-3)19(16)15-24-22(27)26-12-10-23(11-13-26)9-8-18-6-4-5-7-20(18)29-23/h4-9,14H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 138033575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).