5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide

C27H33N3O3 — CID 11408249

IUPAC5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(OCC4CC4)cc32)cn1
InChIInChI=1S/C27H33N3O3/c1-3-30(4-2)26(31)24-9-7-20(17-29-24)23-16-27(11-13-28-14-12-27)33-25-10-8-21(15-22(23)25)32-18-19-5-6-19/h7-10,15-17,19,28H,3-6,11-14,18H2,1-2H3
InChIKeyCPXPFRCKDVLYRH-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.30
Rot. Bonds7

About 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide

5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide (PubChem CID 11408249) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide
PubChem CID11408249
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(OCC4CC4)cc32)cn1
InChIInChI=1S/C27H33N3O3/c1-3-30(4-2)26(31)24-9-7-20(17-29-24)23-16-27(11-13-28-14-12-27)33-25-10-8-21(15-22(23)25)32-18-19-5-6-19/h7-10,15-17,19,28H,3-6,11-14,18H2,1-2H3
InChIKeyCPXPFRCKDVLYRH-UHFFFAOYSA-N
XLogP4.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide (CID 11408249) is 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(OCC4CC4)cc32)cn1.
What is the InChIKey of 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is CPXPFRCKDVLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-3-30(4-2)26(31)24-9-7-20(17-29-24)23-16-27(11-13-28-14-12-27)33-25-10-8-21(15-22(23)25)32-18-19-5-6-19/h7-10,15-17,19,28H,3-6,11-14,18H2,1-2H3.
What are the key properties of 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide?
5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclopropylmethoxy)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 11408249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).