1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea

C17H23N5O2 — CID 51084129

IUPAC1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
SMILESCN1CCN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-5-7-22(8-6-21)16-3-2-14(10-18-16)11-19-17(23)20-12-15-4-9-24-13-15/h2-4,9-10,13H,5-8,11-12H2,1H3,(H2,19,20,23)
InChIKeyDCQXHPZUXVRMSI-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.43
Rot. Bonds5

About 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea

1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea (PubChem CID 51084129) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
PubChem CID51084129
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
SMILESCN1CCN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-5-7-22(8-6-21)16-3-2-14(10-18-16)11-19-17(23)20-12-15-4-9-24-13-15/h2-4,9-10,13H,5-8,11-12H2,1H3,(H2,19,20,23)
InChIKeyDCQXHPZUXVRMSI-UHFFFAOYSA-N
XLogP1.43
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 127273919
1-(3,5-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986935
(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 94180412
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86987548
1-(3-chloro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986581
1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86995051
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea (CID 51084129) is 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea is CN1CCN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea?
The InChIKey is DCQXHPZUXVRMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-5-7-22(8-6-21)16-3-2-14(10-18-16)11-19-17(23)20-12-15-4-9-24-13-15/h2-4,9-10,13H,5-8,11-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea?
1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea has a molecular weight of 329.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 51084129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).