6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine

C25H30N4O3 — CID 144630316

IUPAC6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine
SMILESC=C/C=C(\C)c1cnn2ccc(C)cc12.CC.O=CN(c1ccc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C13H14N2.C10H10N2O3.C2H6/c1-4-5-11(3)12-9-14-15-7-6-10(2)8-13(12)15;13-6-12(8-2-3-8)9-4-1-7(5-11-9)10(14)15;1-2/h4-9H,1H2,2-3H3;1,4-6,8H,2-3H2,(H,14,15);1-2H3/b11-5+;;
InChIKeyMHRYTDLTVJGEET-JYENVBOSSA-N
MW434.54 g/mol
LogP5.16
Rot. Bonds6

About 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine

6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine (PubChem CID 144630316) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine
PubChem CID144630316
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine
SMILESC=C/C=C(\C)c1cnn2ccc(C)cc12.CC.O=CN(c1ccc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C13H14N2.C10H10N2O3.C2H6/c1-4-5-11(3)12-9-14-15-7-6-10(2)8-13(12)15;13-6-12(8-2-3-8)9-4-1-7(5-11-9)10(14)15;1-2/h4-9H,1H2,2-3H3;1,4-6,8H,2-3H2,(H,14,15);1-2H3/b11-5+;;
InChIKeyMHRYTDLTVJGEET-JYENVBOSSA-N
XLogP5.16
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine (CID 144630316) is 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine is C=C/C=C(\C)c1cnn2ccc(C)cc12.CC.O=CN(c1ccc(C(=O)O)cn1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is MHRYTDLTVJGEET-JYENVBOSSA-N. The full InChI is InChI=1S/C13H14N2.C10H10N2O3.C2H6/c1-4-5-11(3)12-9-14-15-7-6-10(2)8-13(12)15;13-6-12(8-2-3-8)9-4-1-7(5-11-9)10(14)15;1-2/h4-9H,1H2,2-3H3;1,4-6,8H,2-3H2,(H,14,15);1-2H3/b11-5+;;.
What are the key properties of 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine?
6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 434.54 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(formyl)amino]pyridine-3-carboxylic acid;ethane;5-methyl-3-[(2E)-penta-2,4-dien-2-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 144630316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).