3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine

C17H28N4 — CID 63311575

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cnn2ccccc12)N(C)C
InChIInChI=1S/C17H28N4/c1-5-14(6-2)17(20(3)4)13-18-11-15-12-19-21-10-8-7-9-16(15)21/h7-10,12,14,17-18H,5-6,11,13H2,1-4H3
InChIKeyQCMLRSIHLTXDGV-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.79
Rot. Bonds8

About 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine (PubChem CID 63311575) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine
PubChem CID63311575
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cnn2ccccc12)N(C)C
InChIInChI=1S/C17H28N4/c1-5-14(6-2)17(20(3)4)13-18-11-15-12-19-21-10-8-7-9-16(15)21/h7-10,12,14,17-18H,5-6,11,13H2,1-4H3
InChIKeyQCMLRSIHLTXDGV-UHFFFAOYSA-N
XLogP2.79
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine (CID 63311575) is 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine is CCC(CC)C(CNCc1cnn2ccccc12)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine?
The InChIKey is QCMLRSIHLTXDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-14(6-2)17(20(3)4)13-18-11-15-12-19-21-10-8-7-9-16(15)21/h7-10,12,14,17-18H,5-6,11,13H2,1-4H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine has a molecular weight of 288.44 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 63311575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).