N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide

C10H14N4O2 — CID 87384841

IUPACN-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide
SMILESNc1ccc(N2CC(O)CC2NC=O)nc1
InChIInChI=1S/C10H14N4O2/c11-7-1-2-9(12-4-7)14-5-8(16)3-10(14)13-6-15/h1-2,4,6,8,10,16H,3,5,11H2,(H,13,15)
InChIKeyBAWXOLBRLGHQFI-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.69
Rot. Bonds3

About N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide

N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide (PubChem CID 87384841) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide
PubChem CID87384841
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide
SMILESNc1ccc(N2CC(O)CC2NC=O)nc1
InChIInChI=1S/C10H14N4O2/c11-7-1-2-9(12-4-7)14-5-8(16)3-10(14)13-6-15/h1-2,4,6,8,10,16H,3,5,11H2,(H,13,15)
InChIKeyBAWXOLBRLGHQFI-UHFFFAOYSA-N
XLogP-0.69
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide (CID 87384841) is N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide is Nc1ccc(N2CC(O)CC2NC=O)nc1.
What is the InChIKey of N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide?
The InChIKey is BAWXOLBRLGHQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-7-1-2-9(12-4-7)14-5-8(16)3-10(14)13-6-15/h1-2,4,6,8,10,16H,3,5,11H2,(H,13,15).
What are the key properties of N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide?
N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide has a molecular weight of 222.25 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide is sourced from PubChem (CID 87384841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).