1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide

C19H31IN6O — CID 111100640

IUPAC1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/Cc2cccnc2N2CCCC(C(N)=O)C2)C1.I
InChIInChI=1S/C19H30N6O.HI/c1-14-5-3-10-25(12-14)19(21)23-11-15-6-2-8-22-18(15)24-9-4-7-16(13-24)17(20)26;/h2,6,8,14,16H,3-5,7,9-13H2,1H3,(H2,20,26)(H2,21,23);1H
InChIKeyPCVJYZHYTUBOSS-UHFFFAOYSA-N
MW486.40 g/mol
LogP1.95
Rot. Bonds4

About 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide

1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide (PubChem CID 111100640) has the molecular formula C19H31IN6O and a molecular weight of 486.40 g/mol. Its IUPAC name is 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide.

Molecular Properties

Compound Name1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
PubChem CID111100640
Molecular FormulaC19H31IN6O
Molecular Weight486.40 g/mol
Exact Mass486.16
IUPAC Name1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/Cc2cccnc2N2CCCC(C(N)=O)C2)C1.I
InChIInChI=1S/C19H30N6O.HI/c1-14-5-3-10-25(12-14)19(21)23-11-15-6-2-8-22-18(15)24-9-4-7-16(13-24)17(20)26;/h2,6,8,14,16H,3-5,7,9-13H2,1H3,(H2,20,26)(H2,21,23);1H
InChIKeyPCVJYZHYTUBOSS-UHFFFAOYSA-N
XLogP1.95
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 51.95
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111100645
1-[3-[[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111256362
1-[3-[[[ethylamino-(pentylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111128546
1-[3-[[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111735206
1-[3-[[[ethylamino-(2-ethylbutylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111891695
1-[3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 110949768
1-[3-[[[[(2-chlorophenyl)methylamino]-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111174110
1-[3-[[[ethylamino-(octan-2-ylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111212655
1-[3-[[[ethylamino-[methyl(2-phenoxyethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111273830
1-[3-[[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 109384962
1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 166217241
1-[3-[[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 109483943

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide?
The IUPAC name of 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide (CID 111100640) is 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide.
What is the SMILES notation for 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide?
The canonical SMILES for 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide is CC1CCCN(/C(N)=N/Cc2cccnc2N2CCCC(C(N)=O)C2)C1.I.
What is the InChIKey of 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide?
The InChIKey is PCVJYZHYTUBOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O.HI/c1-14-5-3-10-25(12-14)19(21)23-11-15-6-2-8-22-18(15)24-9-4-7-16(13-24)17(20)26;/h2,6,8,14,16H,3-5,7,9-13H2,1H3,(H2,20,26)(H2,21,23);1H.
What are the key properties of 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide?
1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide has a molecular weight of 486.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide is sourced from PubChem (CID 111100640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).