N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C14H21N5O — CID 119668708

IUPACN-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C14H21N5O/c1-3-4-5-11(7-15)17-14(20)10-6-12-9(2)18-19-13(12)16-8-10/h6,8,11H,3-5,7,15H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyXORRNLMLBWCSMS-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.51
Rot. Bonds6

About N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 119668708) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID119668708
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C14H21N5O/c1-3-4-5-11(7-15)17-14(20)10-6-12-9(2)18-19-13(12)16-8-10/h6,8,11H,3-5,7,15H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyXORRNLMLBWCSMS-UHFFFAOYSA-N
XLogP1.51
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 119668708) is N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is CCCCC(CN)NC(=O)c1cnc2n[nH]c(C)c2c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XORRNLMLBWCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-4-5-11(7-15)17-14(20)10-6-12-9(2)18-19-13(12)16-8-10/h6,8,11H,3-5,7,15H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 119668708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).