2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide

C12H20N4O — CID 39178282

IUPAC2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
SMILESCCCCCNc1ccc(NC(=O)CN)nc1
InChIInChI=1S/C12H20N4O/c1-2-3-4-7-14-10-5-6-11(15-9-10)16-12(17)8-13/h5-6,9,14H,2-4,7-8,13H2,1H3,(H,15,16,17)
InChIKeyXCWCVYNUPXLESM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.58
Rot. Bonds7

About 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide

2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide (PubChem CID 39178282) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
PubChem CID39178282
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
SMILESCCCCCNc1ccc(NC(=O)CN)nc1
InChIInChI=1S/C12H20N4O/c1-2-3-4-7-14-10-5-6-11(15-9-10)16-12(17)8-13/h5-6,9,14H,2-4,7-8,13H2,1H3,(H,15,16,17)
InChIKeyXCWCVYNUPXLESM-UHFFFAOYSA-N
XLogP1.58
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[5-(5-hydroxypentylamino)-2-pyridinyl]acetamide
CID 39178424
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
2-amino-N-[6-(5-hydroxypentylamino)-3-pyridinyl]acetamide
CID 39179919
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
4-oxo-4-[[6-(pentylamino)-3-pyridinyl]amino]butanoic acid
CID 39178036
3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030403
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
2-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 82034084
1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
CID 113024016
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide (CID 39178282) is 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide is CCCCCNc1ccc(NC(=O)CN)nc1.
What is the InChIKey of 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide?
The InChIKey is XCWCVYNUPXLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-3-4-7-14-10-5-6-11(15-9-10)16-12(17)8-13/h5-6,9,14H,2-4,7-8,13H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide?
2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 39178282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).