1,3-bis(2-pyridin-4-ylpropan-2-yl)urea

C17H22N4O — CID 4120557

IUPAC1,3-bis(2-pyridin-4-ylpropan-2-yl)urea
SMILESCC(C)(NC(=O)NC(C)(C)c1ccncc1)c1ccncc1
InChIInChI=1S/C17H22N4O/c1-16(2,13-5-9-18-10-6-13)20-15(22)21-17(3,4)14-7-11-19-12-8-14/h5-12H,1-4H3,(H2,20,21,22)
InChIKeyMPQNTBWFKWKXON-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.95
Rot. Bonds4

About 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea

1,3-bis(2-pyridin-4-ylpropan-2-yl)urea (PubChem CID 4120557) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1,3-bis(2-pyridin-4-ylpropan-2-yl)urea
PubChem CID4120557
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1,3-bis(2-pyridin-4-ylpropan-2-yl)urea
SMILESCC(C)(NC(=O)NC(C)(C)c1ccncc1)c1ccncc1
InChIInChI=1S/C17H22N4O/c1-16(2,13-5-9-18-10-6-13)20-15(22)21-17(3,4)14-7-11-19-12-8-14/h5-12H,1-4H3,(H2,20,21,22)
InChIKeyMPQNTBWFKWKXON-UHFFFAOYSA-N
XLogP2.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
methyl carbamate;2-pyridin-4-ylpropan-2-ylcarbamic acid
CID 175714580
4-oxo-4-(2-pyridin-4-ylpropan-2-ylamino)but-2-enoic acid
CID 3326853
2,6-dichloro-N-(2-pyridin-4-ylpropan-2-yl)benzamide
CID 3526878
N-(2-pyridin-4-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 110870392
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
4-tert-butylpyridine;formic acid
CID 174881162
2-methyl-2-pyridin-4-ylpropanehydrazide;hydrochloride
CID 131964184
4-(2-pyridin-4-ylpropan-2-yl)pyridine
CID 20584229
tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
CID 139134561
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea?
The IUPAC name of 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea (CID 4120557) is 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea is CC(C)(NC(=O)NC(C)(C)c1ccncc1)c1ccncc1.
What is the InChIKey of 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea?
The InChIKey is MPQNTBWFKWKXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-16(2,13-5-9-18-10-6-13)20-15(22)21-17(3,4)14-7-11-19-12-8-14/h5-12H,1-4H3,(H2,20,21,22).
What are the key properties of 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea?
1,3-bis(2-pyridin-4-ylpropan-2-yl)urea has a molecular weight of 298.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-pyridin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 4120557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).