N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide

C29H33N5O2 — CID 59999188

IUPACN-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide
SMILESO=C(NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C29H33N5O2/c35-27(25-9-5-15-31-21-25)32-26(24-7-2-1-3-8-24)10-16-33-17-11-29(12-18-33)13-19-34(28(29)36)22-23-6-4-14-30-20-23/h1-9,14-15,20-21,26H,10-13,16-19,22H2,(H,32,35)
InChIKeyBYCCLECQPHDNBG-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.85
Rot. Bonds8

About N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide

N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide (PubChem CID 59999188) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide
PubChem CID59999188
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC NameN-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide
SMILESO=C(NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C29H33N5O2/c35-27(25-9-5-15-31-21-25)32-26(24-7-2-1-3-8-24)10-16-33-17-11-29(12-18-33)13-19-34(28(29)36)22-23-6-4-14-30-20-23/h1-9,14-15,20-21,26H,10-13,16-19,22H2,(H,32,35)
InChIKeyBYCCLECQPHDNBG-UHFFFAOYSA-N
XLogP3.85
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide (CID 59999188) is N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide is O=C(NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1)c1cccnc1.
What is the InChIKey of N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide?
The InChIKey is BYCCLECQPHDNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c35-27(25-9-5-15-31-21-25)32-26(24-7-2-1-3-8-24)10-16-33-17-11-29(12-18-33)13-19-34(28(29)36)22-23-6-4-14-30-20-23/h1-9,14-15,20-21,26H,10-13,16-19,22H2,(H,32,35).
What are the key properties of N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide?
N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 59999188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).