2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide

C13H20N4O — CID 54957334

IUPAC2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN(C)c1ccncc1N)C1CC1
InChIInChI=1S/C13H20N4O/c1-3-17(10-4-5-10)13(18)9-16(2)12-6-7-15-8-11(12)14/h6-8,10H,3-5,9,14H2,1-2H3
InChIKeyUVFICGMURXOVEC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds5

About 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide

2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide (PubChem CID 54957334) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide
PubChem CID54957334
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN(C)c1ccncc1N)C1CC1
InChIInChI=1S/C13H20N4O/c1-3-17(10-4-5-10)13(18)9-16(2)12-6-7-15-8-11(12)14/h6-8,10H,3-5,9,14H2,1-2H3
InChIKeyUVFICGMURXOVEC-UHFFFAOYSA-N
XLogP1.11
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
3-amino-N-cyclopropyl-N-ethylpyridine-4-carboxamide
CID 105068531
2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
CID 62575287
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide
CID 61357286
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
4-amino-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 81242271
2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide
CID 61360203
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine
CID 55004739
N-(3-amino-4-pyridinyl)-N-methylcycloheptanecarboxamide
CID 62585945
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
CID 107397217

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide (CID 54957334) is 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN(C)c1ccncc1N)C1CC1.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is UVFICGMURXOVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-17(10-4-5-10)13(18)9-16(2)12-6-7-15-8-11(12)14/h6-8,10H,3-5,9,14H2,1-2H3.
What are the key properties of 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide?
2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 54957334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).