6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide

C30H40N6O3 — CID 130200606

IUPAC6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1
InChIInChI=1S/C30H40N6O3/c1-31-27(38)24-13-8-14-25(32-24)33-26(37)20-35-21-29(36(28(35)39)19-22-9-7-10-22)15-17-30(18-16-29,34(2)3)23-11-5-4-6-12-23/h4-6,8,11-14,22H,7,9-10,15-21H2,1-3H3,(H,31,38)(H,32,33,37)
InChIKeyXEDBVEJBRHFGHV-UHFFFAOYSA-N
MW532.69 g/mol
LogP3.69
Rot. Bonds8

About 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide

6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 130200606) has the molecular formula C30H40N6O3 and a molecular weight of 532.69 g/mol. Its IUPAC name is 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID130200606
Molecular FormulaC30H40N6O3
Molecular Weight532.69 g/mol
Exact Mass532.32
IUPAC Name6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1
InChIInChI=1S/C30H40N6O3/c1-31-27(38)24-13-8-14-25(32-24)33-26(37)20-35-21-29(36(28(35)39)19-22-9-7-10-22)15-17-30(18-16-29,34(2)3)23-11-5-4-6-12-23/h4-6,8,11-14,22H,7,9-10,15-21H2,1-3H3,(H,31,38)(H,32,33,37)
InChIKeyXEDBVEJBRHFGHV-UHFFFAOYSA-N
XLogP3.69
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.69
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide (CID 130200606) is 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)n1.
What is the InChIKey of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is XEDBVEJBRHFGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O3/c1-31-27(38)24-13-8-14-25(32-24)33-26(37)20-35-21-29(36(28(35)39)19-22-9-7-10-22)15-17-30(18-16-29,34(2)3)23-11-5-4-6-12-23/h4-6,8,11-14,22H,7,9-10,15-21H2,1-3H3,(H,31,38)(H,32,33,37).
What are the key properties of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide?
6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 532.69 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 130200606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).