N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide

C15H23N5O — CID 60976315

IUPACN-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide
SMILESCc1nn(C)c2ncc(CNCCNC(=O)C(C)C)cc12
InChIInChI=1S/C15H23N5O/c1-10(2)15(21)17-6-5-16-8-12-7-13-11(3)19-20(4)14(13)18-9-12/h7,9-10,16H,5-6,8H2,1-4H3,(H,17,21)
InChIKeyHYPJPQRBYALDFX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.14
Rot. Bonds6

About N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide

N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide (PubChem CID 60976315) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide
PubChem CID60976315
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide
SMILESCc1nn(C)c2ncc(CNCCNC(=O)C(C)C)cc12
InChIInChI=1S/C15H23N5O/c1-10(2)15(21)17-6-5-16-8-12-7-13-11(3)19-20(4)14(13)18-9-12/h7,9-10,16H,5-6,8H2,1-4H3,(H,17,21)
InChIKeyHYPJPQRBYALDFX-UHFFFAOYSA-N
XLogP1.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62779687
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 55032242
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
N-cyclopropyl-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 78978693
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 115614760
4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
CID 115603275
2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 60976627
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107455
1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
1-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 63772239

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide (CID 60976315) is N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide is Cc1nn(C)c2ncc(CNCCNC(=O)C(C)C)cc12.
What is the InChIKey of N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide?
The InChIKey is HYPJPQRBYALDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10(2)15(21)17-6-5-16-8-12-7-13-11(3)19-20(4)14(13)18-9-12/h7,9-10,16H,5-6,8H2,1-4H3,(H,17,21).
What are the key properties of N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide?
N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 60976315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).