2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide

C14H24N4O — CID 61358058

IUPAC2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)c1ccncc1N
InChIInChI=1S/C14H24N4O/c1-10(2)5-8-17-14(19)11(3)18(4)13-6-7-16-9-12(13)15/h6-7,9-11H,5,8,15H2,1-4H3,(H,17,19)
InChIKeyCEHXCUVZDRMRJR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.65
Rot. Bonds6

About 2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide

2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide (PubChem CID 61358058) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide
PubChem CID61358058
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)c1ccncc1N
InChIInChI=1S/C14H24N4O/c1-10(2)5-8-17-14(19)11(3)18(4)13-6-7-16-9-12(13)15/h6-7,9-11H,5,8,15H2,1-4H3,(H,17,19)
InChIKeyCEHXCUVZDRMRJR-UHFFFAOYSA-N
XLogP1.65
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)-methylamino]-N-tert-butylpropanamide
CID 61360002
2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide
CID 61359027
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 82503805
2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
CID 61295832
2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 62113298
N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
CID 63856219
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
4-N-(1-methoxypropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 61450034
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyridine-3,4-diamine
CID 54956565
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide (CID 61358058) is 2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)N(C)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is CEHXCUVZDRMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)5-8-17-14(19)11(3)18(4)13-6-7-16-9-12(13)15/h6-7,9-11H,5,8,15H2,1-4H3,(H,17,19).
What are the key properties of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide?
2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.65, 6 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 61358058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).