5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide

C12H19N3O — CID 114700344

IUPAC5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
SMILESCc1cnccc1CNC(=O)CCCCN
InChIInChI=1S/C12H19N3O/c1-10-8-14-7-5-11(10)9-15-12(16)4-2-3-6-13/h5,7-8H,2-4,6,9,13H2,1H3,(H,15,16)
InChIKeyBIUSXHOMKLHCIT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.14
Rot. Bonds6

About 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide

5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide (PubChem CID 114700344) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
PubChem CID114700344
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
SMILESCc1cnccc1CNC(=O)CCCCN
InChIInChI=1S/C12H19N3O/c1-10-8-14-7-5-11(10)9-15-12(16)4-2-3-6-13/h5,7-8H,2-4,6,9,13H2,1H3,(H,15,16)
InChIKeyBIUSXHOMKLHCIT-UHFFFAOYSA-N
XLogP1.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700307
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700367
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114701436
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 114700236
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114700232
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 107472817

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The IUPAC name of 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide (CID 114700344) is 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The canonical SMILES for 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide is Cc1cnccc1CNC(=O)CCCCN.
What is the InChIKey of 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The InChIKey is BIUSXHOMKLHCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-8-14-7-5-11(10)9-15-12(16)4-2-3-6-13/h5,7-8H,2-4,6,9,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 114700344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).