1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea

C16H20N4O2 — CID 113034206

IUPAC1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC(C)C)nc2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(2)18-16(21)20-15-9-6-13(10-17-15)19-12-4-7-14(22-3)8-5-12/h4-11,19H,1-3H3,(H2,17,18,20,21)
InChIKeyCFSDUDIJMOFHAF-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.36
Rot. Bonds5

About 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea

1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113034206) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113034206
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC(C)C)nc2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(2)18-16(21)20-15-9-6-13(10-17-15)19-12-4-7-14(22-3)8-5-12/h4-11,19H,1-3H3,(H2,17,18,20,21)
InChIKeyCFSDUDIJMOFHAF-UHFFFAOYSA-N
XLogP3.36
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea
CID 113034207
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113035995
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752
1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048242

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea (CID 113034206) is 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea is COc1ccc(Nc2ccc(NC(=O)NC(C)C)nc2)cc1.
What is the InChIKey of 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is CFSDUDIJMOFHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)18-16(21)20-15-9-6-13(10-17-15)19-12-4-7-14(22-3)8-5-12/h4-11,19H,1-3H3,(H2,17,18,20,21).
What are the key properties of 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea?
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea has a molecular weight of 300.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113034206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).