4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide

C13H22N4O — CID 39179065

IUPAC4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide
SMILESCC(C)CNc1ccc(NC(=O)CCCN)cn1
InChIInChI=1S/C13H22N4O/c1-10(2)8-15-12-6-5-11(9-16-12)17-13(18)4-3-7-14/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAPWHANVWXLUUNP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.83
Rot. Bonds7

About 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide

4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide (PubChem CID 39179065) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide
PubChem CID39179065
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide
SMILESCC(C)CNc1ccc(NC(=O)CCCN)cn1
InChIInChI=1S/C13H22N4O/c1-10(2)8-15-12-6-5-11(9-16-12)17-13(18)4-3-7-14/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAPWHANVWXLUUNP-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 82034192
2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009635
2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009609
2-(2-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009631
N-[6-(3-methylbutylamino)-3-pyridinyl]pentanamide
CID 113015062
4-amino-N-[6-[2-(4-hydroxyphenyl)ethylamino]-3-pyridinyl]butanamide
CID 39179034
4-amino-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]butanamide
CID 82034236
2-(2-methoxyphenoxy)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009626
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
4-amino-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 39187538
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide?
The IUPAC name of 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide (CID 39179065) is 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide?
The canonical SMILES for 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide is CC(C)CNc1ccc(NC(=O)CCCN)cn1.
What is the InChIKey of 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide?
The InChIKey is APWHANVWXLUUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)8-15-12-6-5-11(9-16-12)17-13(18)4-3-7-14/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide?
4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 39179065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).