(2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide

C14H16N4O — CID 47148686

IUPAC(2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H16N4O/c1-4-5-6-7-13(19)16-11-8-12-10(2)17-18(3)14(12)15-9-11/h4-9H,1-3H3,(H,16,19)/b5-4+,7-6+
InChIKeyDFQNBYKJRGCSBV-YTXTXJHMSA-N
MW256.31 g/mol
LogP2.35
Rot. Bonds3

About (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide

(2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide (PubChem CID 47148686) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide
PubChem CID47148686
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H16N4O/c1-4-5-6-7-13(19)16-11-8-12-10(2)17-18(3)14(12)15-9-11/h4-9H,1-3H3,(H,16,19)/b5-4+,7-6+
InChIKeyDFQNBYKJRGCSBV-YTXTXJHMSA-N
XLogP2.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 18151319
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 134024963
(E)-3-(1,3-benzothiazol-2-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 134024960
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 62637301
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-ethylbutanamide
CID 79809258
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 55515473
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylcyclopentane-1-carboxamide
CID 134042789
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 43710001
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide
CID 76887987
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 86917126

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide (CID 47148686) is (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide?
The InChIKey is DFQNBYKJRGCSBV-YTXTXJHMSA-N. The full InChI is InChI=1S/C14H16N4O/c1-4-5-6-7-13(19)16-11-8-12-10(2)17-18(3)14(12)15-9-11/h4-9H,1-3H3,(H,16,19)/b5-4+,7-6+.
What are the key properties of (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide?
(2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide has a molecular weight of 256.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)hexa-2,4-dienamide is sourced from PubChem (CID 47148686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).