1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea

C13H22N4O — CID 51108571

IUPAC1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea
SMILESCCC(C)N(C)CCNC(=O)Nc1ccncc1
InChIInChI=1S/C13H22N4O/c1-4-11(2)17(3)10-9-15-13(18)16-12-5-7-14-8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,14,15,16,18)
InChIKeyJQUFGIWTLHZSAL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.93
Rot. Bonds6

About 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea

1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea (PubChem CID 51108571) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea
PubChem CID51108571
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea
SMILESCCC(C)N(C)CCNC(=O)Nc1ccncc1
InChIInChI=1S/C13H22N4O/c1-4-11(2)17(3)10-9-15-13(18)16-12-5-7-14-8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,14,15,16,18)
InChIKeyJQUFGIWTLHZSAL-UHFFFAOYSA-N
XLogP1.93
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide
CID 95145437
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
1-[4-(1-hydroxyethyl)phenyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 62641101
1-(1,3-benzothiazol-2-yl)-3-[2-[butan-2-yl(methyl)amino]ethyl]urea
CID 51135284
1-(3-cyanophenyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 51107741
4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
1-(2-hydroxypentyl)-3-pyridin-4-ylurea
CID 111119369
(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94822181
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438629
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104207
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 114133340

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea (CID 51108571) is 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea is CCC(C)N(C)CCNC(=O)Nc1ccncc1.
What is the InChIKey of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea?
The InChIKey is JQUFGIWTLHZSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-11(2)17(3)10-9-15-13(18)16-12-5-7-14-8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea?
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea has a molecular weight of 250.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 51108571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).