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

C31H33ClN4O2 — CID 67546489

IUPAC2-chloro-N-[(1R)-7-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-6-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccc(C(=O)C3CNCCC34CCN(c3ccncc3)C4)cc21)c1ccccc1Cl
InChIInChI=1S/C31H33ClN4O2/c32-27-6-2-1-5-24(27)30(38)35-28-7-3-4-21-8-9-22(18-25(21)28)29(37)26-19-34-16-12-31(26)13-17-36(20-31)23-10-14-33-15-11-23/h1-2,5-6,8-11,14-15,18,26,28,34H,3-4,7,12-13,16-17,19-20H2,(H,35,38)/t26?,28-,31?/m1/s1
InChIKeyRNMZHNOTNCGFJI-CTOYTUIPSA-N
MW529.08 g/mol
LogP5.23
Rot. Bonds5

About 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

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 (PubChem CID 67546489) has the molecular formula C31H33ClN4O2 and a molecular weight of 529.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-chloro-N-[(1R)-7-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-6-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID67546489
Molecular FormulaC31H33ClN4O2
Molecular Weight529.08 g/mol
Exact Mass528.23
IUPAC Name2-chloro-N-[(1R)-7-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-6-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccc(C(=O)C3CNCCC34CCN(c3ccncc3)C4)cc21)c1ccccc1Cl
InChIInChI=1S/C31H33ClN4O2/c32-27-6-2-1-5-24(27)30(38)35-28-7-3-4-21-8-9-22(18-25(21)28)29(37)26-19-34-16-12-31(26)13-17-36(20-31)23-10-14-33-15-11-23/h1-2,5-6,8-11,14-15,18,26,28,34H,3-4,7,12-13,16-17,19-20H2,(H,35,38)/t26?,28-,31?/m1/s1
InChIKeyRNMZHNOTNCGFJI-CTOYTUIPSA-N
XLogP5.23
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.08
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[(1S)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 46936088
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
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)-4-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 59505284
5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid;methyl 5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
CID 162002147
8-[(8-chloroisoquinoline-4-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 167753842
(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798635

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(N[C@@H]1CCCc2ccc(C(=O)C3CNCCC34CCN(c3ccncc3)C4)cc21)c1ccccc1Cl.
What is the InChIKey of 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?
The InChIKey is RNMZHNOTNCGFJI-CTOYTUIPSA-N. The full InChI is InChI=1S/C31H33ClN4O2/c32-27-6-2-1-5-24(27)30(38)35-28-7-3-4-21-8-9-22(18-25(21)28)29(37)26-19-34-16-12-31(26)13-17-36(20-31)23-10-14-33-15-11-23/h1-2,5-6,8-11,14-15,18,26,28,34H,3-4,7,12-13,16-17,19-20H2,(H,35,38)/t26?,28-,31?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 529.08 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67546489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).