N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide

C15H22N6O2 — CID 126836185

IUPACN-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide
SMILESCCCCOc1ncccc1CNC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C15H22N6O2/c1-2-3-10-23-15-12(6-5-9-16-15)11-17-14(22)8-4-7-13-18-20-21-19-13/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKeyMRJMWUAEJYNGRW-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.41
Rot. Bonds10

About N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide

N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide (PubChem CID 126836185) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide
PubChem CID126836185
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide
SMILESCCCCOc1ncccc1CNC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C15H22N6O2/c1-2-3-10-23-15-12(6-5-9-16-15)11-17-14(22)8-4-7-13-18-20-21-19-13/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKeyMRJMWUAEJYNGRW-UHFFFAOYSA-N
XLogP1.41
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide (CID 126836185) is N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide is CCCCOc1ncccc1CNC(=O)CCCc1nn[nH]n1.
What is the InChIKey of N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide?
The InChIKey is MRJMWUAEJYNGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-2-3-10-23-15-12(6-5-9-16-15)11-17-14(22)8-4-7-13-18-20-21-19-13/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,22)(H,18,19,20,21).
What are the key properties of N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide?
N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide has a molecular weight of 318.38 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxy-3-pyridinyl)methyl]-4-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 126836185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).