2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide

C13H22N4O — CID 61360002

IUPAC2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(C)c1ccncc1N
InChIInChI=1S/C13H22N4O/c1-9(12(18)16-13(2,3)4)17(5)11-6-7-15-8-10(11)14/h6-9H,14H2,1-5H3,(H,16,18)
InChIKeyZNTWYUYNVSYBSG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.40
Rot. Bonds3

About 2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide

2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide (PubChem CID 61360002) 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-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide
PubChem CID61360002
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(C)c1ccncc1N
InChIInChI=1S/C13H22N4O/c1-9(12(18)16-13(2,3)4)17(5)11-6-7-15-8-10(11)14/h6-9H,14H2,1-5H3,(H,16,18)
InChIKeyZNTWYUYNVSYBSG-UHFFFAOYSA-N
XLogP1.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide
CID 61358058
2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide
CID 61359027
4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 82503805
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]benzoate
CID 62025985
2-[(5-aminoisoquinolin-8-yl)amino]-N-tert-butylpropanamide
CID 103139066
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
4-N-(1-methoxypropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 61450034
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714
(2S)-2-[1,3-benzoxazol-2-yl(methyl)amino]-N-tert-butylpropanamide
CID 99787469
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide
CID 105071219

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide (CID 61360002) is 2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)N(C)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide?
The InChIKey is ZNTWYUYNVSYBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(12(18)16-13(2,3)4)17(5)11-6-7-15-8-10(11)14/h6-9H,14H2,1-5H3,(H,16,18).
What are the key properties of 2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide?
2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide is sourced from PubChem (CID 61360002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).