N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide

C10H15N5O2 — CID 87385110

IUPACN-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide
SMILESNc1ccc(N2CC(O)CC2NC=O)nc1N
InChIInChI=1S/C10H15N5O2/c11-7-1-2-8(14-10(7)12)15-4-6(17)3-9(15)13-5-16/h1-2,5-6,9,17H,3-4,11H2,(H2,12,14)(H,13,16)
InChIKeyJNGDPGCLWZCPDH-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.11
Rot. Bonds3

About N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide

N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide (PubChem CID 87385110) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide
PubChem CID87385110
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide
SMILESNc1ccc(N2CC(O)CC2NC=O)nc1N
InChIInChI=1S/C10H15N5O2/c11-7-1-2-8(14-10(7)12)15-4-6(17)3-9(15)13-5-16/h1-2,5-6,9,17H,3-4,11H2,(H2,12,14)(H,13,16)
InChIKeyJNGDPGCLWZCPDH-UHFFFAOYSA-N
XLogP-1.11
TPSA117.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide (CID 87385110) is N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide is Nc1ccc(N2CC(O)CC2NC=O)nc1N.
What is the InChIKey of N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide?
The InChIKey is JNGDPGCLWZCPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-7-1-2-8(14-10(7)12)15-4-6(17)3-9(15)13-5-16/h1-2,5-6,9,17H,3-4,11H2,(H2,12,14)(H,13,16).
What are the key properties of N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide?
N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide has a molecular weight of 237.26 g/mol, XLogP of -1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide is sourced from PubChem (CID 87385110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).