2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H31N5O — CID 70729992

IUPAC2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(NCCCNC(=O)C2CC3(CCNCC3)CN2C)nc1
InChIInChI=1S/C19H31N5O/c1-15-4-5-17(23-13-15)21-8-3-9-22-18(25)16-12-19(14-24(16)2)6-10-20-11-7-19/h4-5,13,16,20H,3,6-12,14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyPOHCWZXZSRHQSA-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.38
Rot. Bonds6

About 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 70729992) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID70729992
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccc(NCCCNC(=O)C2CC3(CCNCC3)CN2C)nc1
InChIInChI=1S/C19H31N5O/c1-15-4-5-17(23-13-15)21-8-3-9-22-18(25)16-12-19(14-24(16)2)6-10-20-11-7-19/h4-5,13,16,20H,3,6-12,14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyPOHCWZXZSRHQSA-UHFFFAOYSA-N
XLogP1.38
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.38
H-Bond Donors ≤ 53
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 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 70729992) is 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is Cc1ccc(NCCCNC(=O)C2CC3(CCNCC3)CN2C)nc1.
What is the InChIKey of 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is POHCWZXZSRHQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-4-5-17(23-13-15)21-8-3-9-22-18(25)16-12-19(14-24(16)2)6-10-20-11-7-19/h4-5,13,16,20H,3,6-12,14H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 70729992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).