4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile

C10H14N4 — CID 61358059

IUPAC4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
SMILESCN(CCCC#N)c1ccncc1N
InChIInChI=1S/C10H14N4/c1-14(7-3-2-5-11)10-4-6-13-8-9(10)12/h4,6,8H,2-3,7,12H2,1H3
InChIKeyDAXAZUOEUDMLHC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.40
Rot. Bonds4

About 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile

4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile (PubChem CID 61358059) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile.

Molecular Properties

Compound Name4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
PubChem CID61358059
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
SMILESCN(CCCC#N)c1ccncc1N
InChIInChI=1S/C10H14N4/c1-14(7-3-2-5-11)10-4-6-13-8-9(10)12/h4,6,8H,2-3,7,12H2,1H3
InChIKeyDAXAZUOEUDMLHC-UHFFFAOYSA-N
XLogP1.40
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine
CID 54956565
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide
CID 61357286
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
CID 116616296
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 79222292
1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one
CID 61358443
3-N-butyl-3-N-methylpyridine-3,4-diamine;methanamine
CID 143837442

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile?
The IUPAC name of 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile (CID 61358059) is 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile.
What is the SMILES notation for 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile?
The canonical SMILES for 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile is CN(CCCC#N)c1ccncc1N.
What is the InChIKey of 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile?
The InChIKey is DAXAZUOEUDMLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-14(7-3-2-5-11)10-4-6-13-8-9(10)12/h4,6,8H,2-3,7,12H2,1H3.
What are the key properties of 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile?
4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile is sourced from PubChem (CID 61358059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).