1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C24H42N6O — CID 111386133

IUPAC1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCCCCCCCN/C(=N/Cc1cccnc1N1CCC(C(N)=O)CC1)NCC
InChIInChI=1S/C24H42N6O/c1-3-5-6-7-8-9-10-15-28-24(26-4-2)29-19-21-12-11-16-27-23(21)30-17-13-20(14-18-30)22(25)31/h11-12,16,20H,3-10,13-15,17-19H2,1-2H3,(H2,25,31)(H2,26,28,29)
InChIKeySGAAIIYMBBOFKV-UHFFFAOYSA-N
MW430.64 g/mol
LogP3.59
Rot. Bonds13

About 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 111386133) has the molecular formula C24H42N6O and a molecular weight of 430.64 g/mol. Its IUPAC name is 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID111386133
Molecular FormulaC24H42N6O
Molecular Weight430.64 g/mol
Exact Mass430.34
IUPAC Name1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCCCCCCCCN/C(=N/Cc1cccnc1N1CCC(C(N)=O)CC1)NCC
InChIInChI=1S/C24H42N6O/c1-3-5-6-7-8-9-10-15-28-24(26-4-2)29-19-21-12-11-16-27-23(21)30-17-13-20(14-18-30)22(25)31/h11-12,16,20H,3-10,13-15,17-19H2,1-2H3,(H2,25,31)(H2,26,28,29)
InChIKeySGAAIIYMBBOFKV-UHFFFAOYSA-N
XLogP3.59
TPSA95.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[[ethylamino-(pentylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111128546
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-(3-pyrazol-1-ylpropylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111905958
1-[3-[[[amino(butylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111100567
1-[3-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111127701
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-[[[(cyclopentylamino)-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 110992164
1-[3-[[[[(3-ethoxy-4-methylpentyl)amino]-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111717621
1-[3-[[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide;hydroiodide
CID 111605982
1-[3-[[[ethylamino-(octan-2-ylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111212655

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 111386133) is 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is CCCCCCCCCN/C(=N/Cc1cccnc1N1CCC(C(N)=O)CC1)NCC.
What is the InChIKey of 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is SGAAIIYMBBOFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O/c1-3-5-6-7-8-9-10-15-28-24(26-4-2)29-19-21-12-11-16-27-23(21)30-17-13-20(14-18-30)22(25)31/h11-12,16,20H,3-10,13-15,17-19H2,1-2H3,(H2,25,31)(H2,26,28,29).
What are the key properties of 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 430.64 g/mol, XLogP of 3.59, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[ethylamino-(nonylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 111386133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).