N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine

C14H20N4O — CID 176991048

IUPACN-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine
SMILESCCCCNc1cc(-c2cnn(C)c2)cnc1OC
InChIInChI=1S/C14H20N4O/c1-4-5-6-15-13-7-11(8-16-14(13)19-3)12-9-17-18(2)10-12/h7-10,15H,4-6H2,1-3H3
InChIKeyPNSUWGKGKSXSSP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.70
Rot. Bonds6

About N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine

N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine (PubChem CID 176991048) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine
PubChem CID176991048
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine
SMILESCCCCNc1cc(-c2cnn(C)c2)cnc1OC
InChIInChI=1S/C14H20N4O/c1-4-5-6-15-13-7-11(8-16-14(13)19-3)12-9-17-18(2)10-12/h7-10,15H,4-6H2,1-3H3
InChIKeyPNSUWGKGKSXSSP-UHFFFAOYSA-N
XLogP2.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
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-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine?
The IUPAC name of N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine (CID 176991048) is N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine.
What is the SMILES notation for N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine?
The canonical SMILES for N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine is CCCCNc1cc(-c2cnn(C)c2)cnc1OC.
What is the InChIKey of N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine?
The InChIKey is PNSUWGKGKSXSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-5-6-15-13-7-11(8-16-14(13)19-3)12-9-17-18(2)10-12/h7-10,15H,4-6H2,1-3H3.
What are the key properties of N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine?
N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine has a molecular weight of 260.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine is sourced from PubChem (CID 176991048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).