N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide

C11H17N5O — CID 87713074

IUPACN-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide
SMILESNc1cnc(N2CCCCC2NC=O)c(N)c1
InChIInChI=1S/C11H17N5O/c12-8-5-9(13)11(14-6-8)16-4-2-1-3-10(16)15-7-17/h5-7,10H,1-4,12-13H2,(H,15,17)
InChIKeyAQFOXCUGUYJMIU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.31
Rot. Bonds3

About N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide

N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide (PubChem CID 87713074) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide
PubChem CID87713074
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide
SMILESNc1cnc(N2CCCCC2NC=O)c(N)c1
InChIInChI=1S/C11H17N5O/c12-8-5-9(13)11(14-6-8)16-4-2-1-3-10(16)15-7-17/h5-7,10H,1-4,12-13H2,(H,15,17)
InChIKeyAQFOXCUGUYJMIU-UHFFFAOYSA-N
XLogP0.31
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide?
The IUPAC name of N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide (CID 87713074) is N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide.
What is the SMILES notation for N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide?
The canonical SMILES for N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide is Nc1cnc(N2CCCCC2NC=O)c(N)c1.
What is the InChIKey of N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide?
The InChIKey is AQFOXCUGUYJMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-8-5-9(13)11(14-6-8)16-4-2-1-3-10(16)15-7-17/h5-7,10H,1-4,12-13H2,(H,15,17).
What are the key properties of N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide?
N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide has a molecular weight of 235.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide is sourced from PubChem (CID 87713074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).