2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide

C21H31N5O — CID 101361615

IUPAC2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide
SMILESCc1ccnc(-c2cc(CCCCCCCNC(=O)C(N)CN)ccn2)c1
InChIInChI=1S/C21H31N5O/c1-16-8-11-24-19(13-16)20-14-17(9-12-25-20)7-5-3-2-4-6-10-26-21(27)18(23)15-22/h8-9,11-14,18H,2-7,10,15,22-23H2,1H3,(H,26,27)
InChIKeyPCDMJZMFIYGWII-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.35
Rot. Bonds11

About 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide

2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide (PubChem CID 101361615) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide.

Molecular Properties

Compound Name2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide
PubChem CID101361615
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide
SMILESCc1ccnc(-c2cc(CCCCCCCNC(=O)C(N)CN)ccn2)c1
InChIInChI=1S/C21H31N5O/c1-16-8-11-24-19(13-16)20-14-17(9-12-25-20)7-5-3-2-4-6-10-26-21(27)18(23)15-22/h8-9,11-14,18H,2-7,10,15,22-23H2,1H3,(H,26,27)
InChIKeyPCDMJZMFIYGWII-UHFFFAOYSA-N
XLogP2.35
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide 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 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide?
The IUPAC name of 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide (CID 101361615) is 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide.
What is the SMILES notation for 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide?
The canonical SMILES for 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide is Cc1ccnc(-c2cc(CCCCCCCNC(=O)C(N)CN)ccn2)c1.
What is the InChIKey of 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide?
The InChIKey is PCDMJZMFIYGWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-16-8-11-24-19(13-16)20-14-17(9-12-25-20)7-5-3-2-4-6-10-26-21(27)18(23)15-22/h8-9,11-14,18H,2-7,10,15,22-23H2,1H3,(H,26,27).
What are the key properties of 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide?
2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 2.35, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide is sourced from PubChem (CID 101361615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).