1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea

C15H26N4O — CID 59493910

IUPAC1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@H](CNc1ccccn1)C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-11(2)18-14(20)19-12(15(3,4)5)10-17-13-8-6-7-9-16-13/h6-9,11-12H,10H2,1-5H3,(H,16,17)(H2,18,19,20)/t12-/m1/s1
InChIKeyZMCKLDRYLJCXII-GFCCVEGCSA-N
MW278.40 g/mol
LogP2.62
Rot. Bonds5

About 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea

1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea (PubChem CID 59493910) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea
PubChem CID59493910
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@H](CNc1ccccn1)C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-11(2)18-14(20)19-12(15(3,4)5)10-17-13-8-6-7-9-16-13/h6-9,11-12H,10H2,1-5H3,(H,16,17)(H2,18,19,20)/t12-/m1/s1
InChIKeyZMCKLDRYLJCXII-GFCCVEGCSA-N
XLogP2.62
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea with MolForge

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Related Compounds

3-methyl-4-(pyridin-2-ylamino)butanoic acid
CID 115219759
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate
CID 115123515
N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 112704501
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990
N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
CID 59533491
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea
CID 144535580
hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)
CID 175185919
N-(2-hydroxypropyl)-N'-pyridin-2-yloxamide
CID 44999298

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea (CID 59493910) is 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@H](CNc1ccccn1)C(C)(C)C.
What is the InChIKey of 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea?
The InChIKey is ZMCKLDRYLJCXII-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)18-14(20)19-12(15(3,4)5)10-17-13-8-6-7-9-16-13/h6-9,11-12H,10H2,1-5H3,(H,16,17)(H2,18,19,20)/t12-/m1/s1.
What are the key properties of 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea?
1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea has a molecular weight of 278.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,3-dimethyl-1-(pyridin-2-ylamino)butan-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 59493910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).