2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C13H20IN5O — CID 119121150

IUPAC2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1cccnc1)NC1CCCC1
InChIInChI=1S/C13H19N5O.HI/c14-13(18-10-4-1-2-5-10)16-9-12(19)17-11-6-3-7-15-8-11;/h3,6-8,10H,1-2,4-5,9H2,(H,17,19)(H3,14,16,18);1H
InChIKeyFDADMQVGUKXQRJ-UHFFFAOYSA-N
MW389.24 g/mol
LogP1.49
Rot. Bonds4

About 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 119121150) has the molecular formula C13H20IN5O and a molecular weight of 389.24 g/mol. Its IUPAC name is 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
PubChem CID119121150
Molecular FormulaC13H20IN5O
Molecular Weight389.24 g/mol
Exact Mass389.07
IUPAC Name2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1cccnc1)NC1CCCC1
InChIInChI=1S/C13H19N5O.HI/c14-13(18-10-4-1-2-5-10)16-9-12(19)17-11-6-3-7-15-8-11;/h3,6-8,10H,1-2,4-5,9H2,(H,17,19)(H3,14,16,18);1H
InChIKeyFDADMQVGUKXQRJ-UHFFFAOYSA-N
XLogP1.49
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092990
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093023
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093005
2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092938
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090850
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090870
N-[3-[[[amino-(cyclohexylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111046818

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 119121150) is 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is I.N/C(=N\CC(=O)Nc1cccnc1)NC1CCCC1.
What is the InChIKey of 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The InChIKey is FDADMQVGUKXQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.HI/c14-13(18-10-4-1-2-5-10)16-9-12(19)17-11-6-3-7-15-8-11;/h3,6-8,10H,1-2,4-5,9H2,(H,17,19)(H3,14,16,18);1H.
What are the key properties of 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 389.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 119121150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).