1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C22H34N8O — CID 111952721

IUPAC1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCN/C(=N\Cc1cccnc1N1CCC(C(N)=O)CC1)NCc1c(C)nn(C)c1C
InChIInChI=1S/C22H34N8O/c1-5-24-22(27-14-19-15(2)28-29(4)16(19)3)26-13-18-7-6-10-25-21(18)30-11-8-17(9-12-30)20(23)31/h6-7,10,17H,5,8-9,11-14H2,1-4H3,(H2,23,31)(H2,24,26,27)
InChIKeySATHUZDBZSMPOF-UHFFFAOYSA-N
MW426.57 g/mol
LogP1.39
Rot. Bonds7

About 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 111952721) has the molecular formula C22H34N8O and a molecular weight of 426.57 g/mol. Its IUPAC name is 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID111952721
Molecular FormulaC22H34N8O
Molecular Weight426.57 g/mol
Exact Mass426.29
IUPAC Name1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCN/C(=N\Cc1cccnc1N1CCC(C(N)=O)CC1)NCc1c(C)nn(C)c1C
InChIInChI=1S/C22H34N8O/c1-5-24-22(27-14-19-15(2)28-29(4)16(19)3)26-13-18-7-6-10-25-21(18)30-11-8-17(9-12-30)20(23)31/h6-7,10,17H,5,8-9,11-14H2,1-4H3,(H2,23,31)(H2,24,26,27)
InChIKeySATHUZDBZSMPOF-UHFFFAOYSA-N
XLogP1.39
TPSA113.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[[[ethylamino-[(2-ethylphenyl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111635325
1-[3-[[[ethylamino-[(2-ethylphenyl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111635326
1-[3-[[[[2-(cyclopropanecarbonylamino)ethylamino]-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111928132
1-[3-[[[[2-(cyclopropanecarbonylamino)ethylamino]-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111928131
1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111386133
1-[3-[[[(cyclopentylamino)-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 110992164
1-[3-[[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111905958
1-[3-[[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111605982
1-[3-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111127701
1-[3-[[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111250783
1-[3-[[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111673195
1-ethyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111951805

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 111952721) is 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is CCN/C(=N\Cc1cccnc1N1CCC(C(N)=O)CC1)NCc1c(C)nn(C)c1C.
What is the InChIKey of 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is SATHUZDBZSMPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N8O/c1-5-24-22(27-14-19-15(2)28-29(4)16(19)3)26-13-18-7-6-10-25-21(18)30-11-8-17(9-12-30)20(23)31/h6-7,10,17H,5,8-9,11-14H2,1-4H3,(H2,23,31)(H2,24,26,27).
What are the key properties of 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 426.57 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 111952721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).