N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide

C23H27N3O2 — CID 11211122

IUPACN,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cn1
InChIInChI=1S/C23H27N3O2/c1-3-26(4-2)22(27)20-10-9-17(16-25-20)19-15-23(11-13-24-14-12-23)28-21-8-6-5-7-18(19)21/h5-10,15-16,24H,3-4,11-14H2,1-2H3
InChIKeyGKICFSXEQRMXJB-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.51
Rot. Bonds4

About N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide

N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide (PubChem CID 11211122) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide
PubChem CID11211122
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cn1
InChIInChI=1S/C23H27N3O2/c1-3-26(4-2)22(27)20-10-9-17(16-25-20)19-15-23(11-13-24-14-12-23)28-21-8-6-5-7-18(19)21/h5-10,15-16,24H,3-4,11-14H2,1-2H3
InChIKeyGKICFSXEQRMXJB-UHFFFAOYSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide (CID 11211122) is N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cn1.
What is the InChIKey of N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide?
The InChIKey is GKICFSXEQRMXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-26(4-2)22(27)20-10-9-17(16-25-20)19-15-23(11-13-24-14-12-23)28-21-8-6-5-7-18(19)21/h5-10,15-16,24H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide?
N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-spiro[chromene-2,4'-piperidine]-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 11211122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).