2-[amino(pyridin-4-ylmethyl)amino]propanamide

C9H14N4O — CID 68613777

IUPAC2-[amino(pyridin-4-ylmethyl)amino]propanamide
SMILESCC(C(N)=O)N(N)Cc1ccncc1
InChIInChI=1S/C9H14N4O/c1-7(9(10)14)13(11)6-8-2-4-12-5-3-8/h2-5,7H,6,11H2,1H3,(H2,10,14)
InChIKeyZHNSLVBTAZZOJR-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.37
Rot. Bonds4

About 2-[amino(pyridin-4-ylmethyl)amino]propanamide

2-[amino(pyridin-4-ylmethyl)amino]propanamide (PubChem CID 68613777) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[amino(pyridin-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name2-[amino(pyridin-4-ylmethyl)amino]propanamide
PubChem CID68613777
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[amino(pyridin-4-ylmethyl)amino]propanamide
SMILESCC(C(N)=O)N(N)Cc1ccncc1
InChIInChI=1S/C9H14N4O/c1-7(9(10)14)13(11)6-8-2-4-12-5-3-8/h2-5,7H,6,11H2,1H3,(H2,10,14)
InChIKeyZHNSLVBTAZZOJR-UHFFFAOYSA-N
XLogP-0.37
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide
CID 59611643
(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 94155976
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
2-methyl-5-pyridin-4-yl-3-(2-pyridin-4-ylethyl)pentanamide
CID 22937449
2-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76915276
2-amino-N-methyl-N-(pyridin-4-ylmethyl)butanediamide
CID 54928061
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 112709139
5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide
CID 59611644
2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999

Frequently Asked Questions

What is the IUPAC name of 2-[amino(pyridin-4-ylmethyl)amino]propanamide?
The IUPAC name of 2-[amino(pyridin-4-ylmethyl)amino]propanamide (CID 68613777) is 2-[amino(pyridin-4-ylmethyl)amino]propanamide.
What is the SMILES notation for 2-[amino(pyridin-4-ylmethyl)amino]propanamide?
The canonical SMILES for 2-[amino(pyridin-4-ylmethyl)amino]propanamide is CC(C(N)=O)N(N)Cc1ccncc1.
What is the InChIKey of 2-[amino(pyridin-4-ylmethyl)amino]propanamide?
The InChIKey is ZHNSLVBTAZZOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7(9(10)14)13(11)6-8-2-4-12-5-3-8/h2-5,7H,6,11H2,1H3,(H2,10,14).
What are the key properties of 2-[amino(pyridin-4-ylmethyl)amino]propanamide?
2-[amino(pyridin-4-ylmethyl)amino]propanamide has a molecular weight of 194.24 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(pyridin-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 68613777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).