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

C16H20N4O — CID 113031703

IUPAC1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(N(C)c2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-12(2)18-16(21)19-15-10-9-14(11-17-15)20(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,17,18,19,21)
InChIKeyJZLYCDHNUSDRAJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.38
Rot. Bonds4

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

1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113031703) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113031703
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(N(C)c2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-12(2)18-16(21)19-15-10-9-14(11-17-15)20(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,17,18,19,21)
InChIKeyJZLYCDHNUSDRAJ-UHFFFAOYSA-N
XLogP3.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(diethylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113029739
4-[[5-(N-methylanilino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187725
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113031674
N-[5-(N-methylanilino)-2-pyridinyl]pentanamide
CID 113031639
1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113037388
2-(3-fluorophenyl)-N-[5-(N-methylanilino)-2-pyridinyl]acetamide
CID 113031689
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113035995
1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea
CID 126783772
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
4-methoxy-N-[5-(N-methylanilino)-2-pyridinyl]benzenesulfonamide
CID 113031714
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea (CID 113031703) is 1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(N(C)c2ccccc2)cn1.
What is the InChIKey of 1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is JZLYCDHNUSDRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)18-16(21)19-15-10-9-14(11-17-15)20(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,17,18,19,21).
What are the key properties of 1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea?
1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea has a molecular weight of 284.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N-methylanilino)-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113031703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).