1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea

C13H22N4O — CID 113029739

IUPAC1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCCN(CC)c1ccc(NC(=O)NC(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-5-17(6-2)11-7-8-12(14-9-11)16-13(18)15-10(3)4/h7-10H,5-6H2,1-4H3,(H2,14,15,16,18)
InChIKeySSMGTGSVVPNFLC-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.46
Rot. Bonds5

About 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea

1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113029739) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113029739
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCCN(CC)c1ccc(NC(=O)NC(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-5-17(6-2)11-7-8-12(14-9-11)16-13(18)15-10(3)4/h7-10H,5-6H2,1-4H3,(H2,14,15,16,18)
InChIKeySSMGTGSVVPNFLC-UHFFFAOYSA-N
XLogP2.46
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
CID 113036973
1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113037388
1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113031703
N-[5-(diethylamino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113029690
2-[ethyl-[6-(1-hydroxypropyl)-3-pyridinyl]amino]-N-propan-2-ylacetamide
CID 115940411
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009101
1-[4-(dipropylamino)phenyl]-3-propan-2-ylurea
CID 112985654
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea (CID 113029739) is 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea is CCN(CC)c1ccc(NC(=O)NC(C)C)nc1.
What is the InChIKey of 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is SSMGTGSVVPNFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-17(6-2)11-7-8-12(14-9-11)16-13(18)15-10(3)4/h7-10H,5-6H2,1-4H3,(H2,14,15,16,18).
What are the key properties of 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea?
1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea has a molecular weight of 250.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113029739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).