1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea

C15H19N5O2 — CID 53498694

IUPAC1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccnc(N(C)C)c2)cn1
InChIInChI=1S/C15H19N5O2/c1-20(2)13-8-11(6-7-16-13)9-18-15(21)19-12-4-5-14(22-3)17-10-12/h4-8,10H,9H2,1-3H3,(H2,18,19,21)
InChIKeyGMEBCLQRDJMWRO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.87
Rot. Bonds5

About 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 53498694) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea
PubChem CID53498694
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccnc(N(C)C)c2)cn1
InChIInChI=1S/C15H19N5O2/c1-20(2)13-8-11(6-7-16-13)9-18-15(21)19-12-4-5-14(22-3)17-10-12/h4-8,10H,9H2,1-3H3,(H2,18,19,21)
InChIKeyGMEBCLQRDJMWRO-UHFFFAOYSA-N
XLogP1.87
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea (CID 53498694) is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea is COc1ccc(NC(=O)NCc2ccnc(N(C)C)c2)cn1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is GMEBCLQRDJMWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-20(2)13-8-11(6-7-16-13)9-18-15(21)19-12-4-5-14(22-3)17-10-12/h4-8,10H,9H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea?
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 301.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 53498694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).