N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H27N5O — CID 56910669

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cccnc1NCCNC(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C17H27N5O/c1-13-3-2-6-19-15(13)20-9-10-21-16(23)14-11-17(12-22-14)4-7-18-8-5-17/h2-3,6,14,18,22H,4-5,7-12H2,1H3,(H,19,20)(H,21,23)
InChIKeyLEICZODHTKUALU-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.65
Rot. Bonds5

About N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56910669) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56910669
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1cccnc1NCCNC(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C17H27N5O/c1-13-3-2-6-19-15(13)20-9-10-21-16(23)14-11-17(12-22-14)4-7-18-8-5-17/h2-3,6,14,18,22H,4-5,7-12H2,1H3,(H,19,20)(H,21,23)
InChIKeyLEICZODHTKUALU-UHFFFAOYSA-N
XLogP0.65
TPSA78.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56910669) is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is Cc1cccnc1NCCNC(=O)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is LEICZODHTKUALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13-3-2-6-19-15(13)20-9-10-21-16(23)14-11-17(12-22-14)4-7-18-8-5-17/h2-3,6,14,18,22H,4-5,7-12H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56910669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).