2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C31H33ClN4O2 — CID 46936041

IUPAC2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl
InChIInChI=1S/C31H33ClN4O2/c32-27-6-2-1-5-25(27)29(37)34-28-7-3-4-22-8-9-23(20-26(22)28)30(38)36-19-14-31(21-36)12-17-35(18-13-31)24-10-15-33-16-11-24/h1-2,5-6,8-11,15-16,20,28H,3-4,7,12-14,17-19,21H2,(H,34,37)/t28-/m1/s1
InChIKeyJILLIZVUACPPFN-MUUNZHRXSA-N
MW529.08 g/mol
LogP5.68
Rot. Bonds4

About 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 46936041) has the molecular formula C31H33ClN4O2 and a molecular weight of 529.08 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID46936041
Molecular FormulaC31H33ClN4O2
Molecular Weight529.08 g/mol
Exact Mass528.23
IUPAC Name2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl
InChIInChI=1S/C31H33ClN4O2/c32-27-6-2-1-5-25(27)29(37)34-28-7-3-4-22-8-9-23(20-26(22)28)30(38)36-19-14-31(21-36)12-17-35(18-13-31)24-10-15-33-16-11-24/h1-2,5-6,8-11,15-16,20,28H,3-4,7,12-14,17-19,21H2,(H,34,37)/t28-/m1/s1
InChIKeyJILLIZVUACPPFN-MUUNZHRXSA-N
XLogP5.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.08
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1S)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 46936088
2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 59505289
2-chloro-N-[3-[9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 67546311
2-chloro-N-[3-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 67547177
2-fluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66701032
N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 67547562
2-chloro-N-[(1R)-7-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-6-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 67546489
4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide
CID 66700738
2-chloro-N-[(1R)-4-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 59505284
2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700852
2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide
CID 59505749
2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 46936041) is 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(N[C@@H]1CCCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is JILLIZVUACPPFN-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H33ClN4O2/c32-27-6-2-1-5-25(27)29(37)34-28-7-3-4-22-8-9-23(20-26(22)28)30(38)36-19-14-31(21-36)12-17-35(18-13-31)24-10-15-33-16-11-24/h1-2,5-6,8-11,15-16,20,28H,3-4,7,12-14,17-19,21H2,(H,34,37)/t28-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 529.08 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 46936041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).