1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea

C16H20N4O — CID 61339471

IUPAC1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCNC(C)c1ccc(NC(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-5-4-6-15(18-11)20-16(21)19-14-9-7-13(8-10-14)12(2)17-3/h4-10,12,17H,1-3H3,(H2,18,19,20,21)
InChIKeyMHDCQUFJVFAJGB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.31
Rot. Bonds4

About 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea

1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 61339471) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID61339471
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCNC(C)c1ccc(NC(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-5-4-6-15(18-11)20-16(21)19-14-9-7-13(8-10-14)12(2)17-3/h4-10,12,17H,1-3H3,(H2,18,19,20,21)
InChIKeyMHDCQUFJVFAJGB-UHFFFAOYSA-N
XLogP3.31
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817
1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea
CID 97337891
1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339473
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339833
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(6-methyl-2-pyridinyl)urea
CID 108872222
2,2-dimethyl-N-[4-[[4-[(6-methyl-2-pyridinyl)carbamoylamino]phenyl]sulfonylamino]phenyl]propanamide
CID 142036807
1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 108871496
1-[(1R)-1-(4-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100645539
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea (CID 61339471) is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea is CNC(C)c1ccc(NC(=O)Nc2cccc(C)n2)cc1.
What is the InChIKey of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is MHDCQUFJVFAJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-5-4-6-15(18-11)20-16(21)19-14-9-7-13(8-10-14)12(2)17-3/h4-10,12,17H,1-3H3,(H2,18,19,20,21).
What are the key properties of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea?
1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 61339471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).