5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C14H24N6O — CID 120662690

IUPAC5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)/C(N)=N/CC1CCn2ncc(C(N)=O)c2C1
InChIInChI=1S/C14H24N6O/c1-3-19(4-2)14(16)17-8-10-5-6-20-12(7-10)11(9-18-20)13(15)21/h9-10H,3-8H2,1-2H3,(H2,15,21)(H2,16,17)
InChIKeyVSHRTVCZCRTPDC-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.20
Rot. Bonds5

About 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 120662690) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID120662690
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)/C(N)=N/CC1CCn2ncc(C(N)=O)c2C1
InChIInChI=1S/C14H24N6O/c1-3-19(4-2)14(16)17-8-10-5-6-20-12(7-10)11(9-18-20)13(15)21/h9-10H,3-8H2,1-2H3,(H2,15,21)(H2,16,17)
InChIKeyVSHRTVCZCRTPDC-UHFFFAOYSA-N
XLogP0.20
TPSA102.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 120662690) is 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CCN(CC)/C(N)=N/CC1CCn2ncc(C(N)=O)c2C1.
What is the InChIKey of 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VSHRTVCZCRTPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-3-19(4-2)14(16)17-8-10-5-6-20-12(7-10)11(9-18-20)13(15)21/h9-10H,3-8H2,1-2H3,(H2,15,21)(H2,16,17).
What are the key properties of 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 120662690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).