(1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile

C16H19N5O — CID 58881686

IUPAC(1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile
SMILES[C-]#[N+]c1ccc(NCCNCC(=O)C2CCC[C@H]2C#N)nc1
InChIInChI=1S/C16H19N5O/c1-18-13-5-6-16(21-10-13)20-8-7-19-11-15(22)14-4-2-3-12(14)9-17/h5-6,10,12,14,19H,2-4,7-8,11H2,(H,20,21)/t12-,14?/m0/s1
InChIKeyRGQOWGNXBYUQIS-NBFOIZRFSA-N
MW297.36 g/mol
LogP2.14
Rot. Bonds7

About (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile

(1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile (PubChem CID 58881686) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name(1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile
PubChem CID58881686
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile
SMILES[C-]#[N+]c1ccc(NCCNCC(=O)C2CCC[C@H]2C#N)nc1
InChIInChI=1S/C16H19N5O/c1-18-13-5-6-16(21-10-13)20-8-7-19-11-15(22)14-4-2-3-12(14)9-17/h5-6,10,12,14,19H,2-4,7-8,11H2,(H,20,21)/t12-,14?/m0/s1
InChIKeyRGQOWGNXBYUQIS-NBFOIZRFSA-N
XLogP2.14
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile?
The IUPAC name of (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile (CID 58881686) is (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile?
The canonical SMILES for (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile is [C-]#[N+]c1ccc(NCCNCC(=O)C2CCC[C@H]2C#N)nc1.
What is the InChIKey of (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile?
The InChIKey is RGQOWGNXBYUQIS-NBFOIZRFSA-N. The full InChI is InChI=1S/C16H19N5O/c1-18-13-5-6-16(21-10-13)20-8-7-19-11-15(22)14-4-2-3-12(14)9-17/h5-6,10,12,14,19H,2-4,7-8,11H2,(H,20,21)/t12-,14?/m0/s1.
What are the key properties of (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile?
(1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-[2-[(5-isocyano-2-pyridinyl)amino]ethylamino]acetyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 58881686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).