N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

C29H31N5O2 — CID 67547562

IUPACN-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)C4)cc21)c1ccccn1
InChIInChI=1S/C29H31N5O2/c35-27(26-3-1-2-13-31-26)32-25-7-6-21-4-5-22(19-24(21)25)28(36)33-16-10-29(11-17-33)12-18-34(20-29)23-8-14-30-15-9-23/h1-5,8-9,13-15,19,25H,6-7,10-12,16-18,20H2,(H,32,35)
InChIKeyBASSTODLKSGAQW-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.03
Rot. Bonds4

About N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (PubChem CID 67547562) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
PubChem CID67547562
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC NameN-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)C4)cc21)c1ccccn1
InChIInChI=1S/C29H31N5O2/c35-27(26-3-1-2-13-31-26)32-25-7-6-21-4-5-22(19-24(21)25)28(36)33-16-10-29(11-17-33)12-18-34(20-29)23-8-14-30-15-9-23/h1-5,8-9,13-15,19,25H,6-7,10-12,16-18,20H2,(H,32,35)
InChIKeyBASSTODLKSGAQW-UHFFFAOYSA-N
XLogP4.03
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The IUPAC name of 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) is N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)C4)cc21)c1ccccn1.
What is the InChIKey of N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The InChIKey is BASSTODLKSGAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c35-27(26-3-1-2-13-31-26)32-25-7-6-21-4-5-22(19-24(21)25)28(36)33-16-10-29(11-17-33)12-18-34(20-29)23-8-14-30-15-9-23/h1-5,8-9,13-15,19,25H,6-7,10-12,16-18,20H2,(H,32,35).
What are the key properties of N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 67547562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).