6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide

C15H24N4O2 — CID 78956162

IUPAC6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)CCNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C15H24N4O2/c1-5-11(2)18-14(20)8-9-16-13-7-6-12(10-17-13)15(21)19(3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyBTOOLWLEHRAZGK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.50
Rot. Bonds7

About 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide

6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 78956162) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID78956162
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)CCNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C15H24N4O2/c1-5-11(2)18-14(20)8-9-16-13-7-6-12(10-17-13)15(21)19(3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyBTOOLWLEHRAZGK-UHFFFAOYSA-N
XLogP1.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62177054
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(methylamino)pyridine-3-carboxamide
CID 62177053
N-butan-2-yl-3-[(5-nitro-2-pyridinyl)amino]propanamide
CID 47282818
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 113351620
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918035
6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 111435885
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide (CID 78956162) is 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide is CCC(C)NC(=O)CCNc1ccc(C(=O)N(C)C)cn1.
What is the InChIKey of 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is BTOOLWLEHRAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-11(2)18-14(20)8-9-16-13-7-6-12(10-17-13)15(21)19(3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)(H,18,20).
What are the key properties of 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide?
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 78956162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).