2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide

C13H22N4O — CID 61359027

IUPAC2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)c1ccncc1N
InChIInChI=1S/C13H22N4O/c1-5-17(6-2)13(18)10(3)16(4)12-7-8-15-9-11(12)14/h7-10H,5-6,14H2,1-4H3
InChIKeyYXYVBAQBWHXQJY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds5

About 2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide

2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide (PubChem CID 61359027) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide
PubChem CID61359027
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)c1ccncc1N
InChIInChI=1S/C13H22N4O/c1-5-17(6-2)13(18)10(3)16(4)12-7-8-15-9-11(12)14/h7-10H,5-6,14H2,1-4H3
InChIKeyYXYVBAQBWHXQJY-UHFFFAOYSA-N
XLogP1.36
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide
CID 61358058
4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 82503805
2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide
CID 61360002
4-N-(1-methoxypropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 61450034
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114721819
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
3-amino-N-butyl-N-ethylpyridine-4-carboxamide
CID 105068020
2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide
CID 54957334
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide (CID 61359027) is 2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(C)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide?
The InChIKey is YXYVBAQBWHXQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-17(6-2)13(18)10(3)16(4)12-7-8-15-9-11(12)14/h7-10H,5-6,14H2,1-4H3.
What are the key properties of 2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide?
2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.36, 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,N-diethylpropanamide is sourced from PubChem (CID 61359027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).