5-[(4-methyl-3-pyridinyl)methylamino]pentanamide

C12H19N3O — CID 106234501

IUPAC5-[(4-methyl-3-pyridinyl)methylamino]pentanamide
SMILESCc1ccncc1CNCCCCC(N)=O
InChIInChI=1S/C12H19N3O/c1-10-5-7-15-9-11(10)8-14-6-3-2-4-12(13)16/h5,7,9,14H,2-4,6,8H2,1H3,(H2,13,16)
InChIKeyYMNNEZZPERAZJB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.14
Rot. Bonds7

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

5-[(4-methyl-3-pyridinyl)methylamino]pentanamide (PubChem CID 106234501) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-[(4-methyl-3-pyridinyl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(4-methyl-3-pyridinyl)methylamino]pentanamide
PubChem CID106234501
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-[(4-methyl-3-pyridinyl)methylamino]pentanamide
SMILESCc1ccncc1CNCCCCC(N)=O
InChIInChI=1S/C12H19N3O/c1-10-5-7-15-9-11(10)8-14-6-3-2-4-12(13)16/h5,7,9,14H,2-4,6,8H2,1H3,(H2,13,16)
InChIKeyYMNNEZZPERAZJB-UHFFFAOYSA-N
XLogP1.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 114955437
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide
CID 114956355
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
tert-butyl N-[4-[(4-methyl-3-pyridinyl)methylamino]butan-2-yl]carbamate
CID 107247056
methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate
CID 114955525
N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272322
5-[(3-amino-4-pyridinyl)amino]pentanamide
CID 106233945
5-[(2,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219012

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-3-pyridinyl)methylamino]pentanamide?
The IUPAC name of 5-[(4-methyl-3-pyridinyl)methylamino]pentanamide (CID 106234501) is 5-[(4-methyl-3-pyridinyl)methylamino]pentanamide.
What is the SMILES notation for 5-[(4-methyl-3-pyridinyl)methylamino]pentanamide?
The canonical SMILES for 5-[(4-methyl-3-pyridinyl)methylamino]pentanamide is Cc1ccncc1CNCCCCC(N)=O.
What is the InChIKey of 5-[(4-methyl-3-pyridinyl)methylamino]pentanamide?
The InChIKey is YMNNEZZPERAZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-5-7-15-9-11(10)8-14-6-3-2-4-12(13)16/h5,7,9,14H,2-4,6,8H2,1H3,(H2,13,16).
What are the key properties of 5-[(4-methyl-3-pyridinyl)methylamino]pentanamide?
5-[(4-methyl-3-pyridinyl)methylamino]pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-3-pyridinyl)methylamino]pentanamide is sourced from PubChem (CID 106234501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).