3-tert-butyl-1-ethyl-1-pyridin-4-ylurea

C12H19N3O — CID 106934815

IUPAC3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
SMILESCCN(C(=O)NC(C)(C)C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-5-15(10-6-8-13-9-7-10)11(16)14-12(2,3)4/h6-9H,5H2,1-4H3,(H,14,16)
InChIKeyPDJGGOSNLPVHFL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds2

About 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea

3-tert-butyl-1-ethyl-1-pyridin-4-ylurea (PubChem CID 106934815) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea.

Molecular Properties

Compound Name3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
PubChem CID106934815
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
SMILESCCN(C(=O)NC(C)(C)C)c1ccncc1
InChIInChI=1S/C12H19N3O/c1-5-15(10-6-8-13-9-7-10)11(16)14-12(2,3)4/h6-9H,5H2,1-4H3,(H,14,16)
InChIKeyPDJGGOSNLPVHFL-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
CID 106936437
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
CID 106935267
4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 106936138
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
CID 106934758
N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 113238508
3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700830
N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide
CID 106937429
propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
CID 106934812
1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
CID 43275802
N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937503
4-[[(4-carboxyphenyl)-ethylcarbamoyl]-ethylamino]benzoic acid;4-pyridin-4-ylpyridine
CID 139144652

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea?
The IUPAC name of 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea (CID 106934815) is 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea.
What is the SMILES notation for 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea?
The canonical SMILES for 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea is CCN(C(=O)NC(C)(C)C)c1ccncc1.
What is the InChIKey of 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea?
The InChIKey is PDJGGOSNLPVHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-15(10-6-8-13-9-7-10)11(16)14-12(2,3)4/h6-9H,5H2,1-4H3,(H,14,16).
What are the key properties of 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea?
3-tert-butyl-1-ethyl-1-pyridin-4-ylurea has a molecular weight of 221.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethyl-1-pyridin-4-ylurea is sourced from PubChem (CID 106934815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).