1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea

C12H20N4O — CID 113009101

IUPAC1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
SMILESCCCNc1ccc(NC(=O)NC(C)C)cn1
InChIInChI=1S/C12H20N4O/c1-4-7-13-11-6-5-10(8-14-11)16-12(17)15-9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,13,14)(H2,15,16,17)
InChIKeyDFWKCYOKDXQTIF-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.43
Rot. Bonds5

About 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea

1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea (PubChem CID 113009101) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
PubChem CID113009101
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
SMILESCCCNc1ccc(NC(=O)NC(C)C)cn1
InChIInChI=1S/C12H20N4O/c1-4-7-13-11-6-5-10(8-14-11)16-12(17)15-9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,13,14)(H2,15,16,17)
InChIKeyDFWKCYOKDXQTIF-UHFFFAOYSA-N
XLogP2.43
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012952
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113013854
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
1-[6-(3,5-dimethylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113017108
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
5-N-ethyl-2-N-propylpyridine-2,5-diamine
CID 82104306
2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
CID 113009090

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea?
The IUPAC name of 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea (CID 113009101) is 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea is CCCNc1ccc(NC(=O)NC(C)C)cn1.
What is the InChIKey of 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea?
The InChIKey is DFWKCYOKDXQTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-7-13-11-6-5-10(8-14-11)16-12(17)15-9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,13,14)(H2,15,16,17).
What are the key properties of 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea?
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea has a molecular weight of 236.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea is sourced from PubChem (CID 113009101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).