1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea

C18H25N5O2 — CID 51084308

IUPAC1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
SMILESCN1CCN(c2cc(CNC(=O)N(C)Cc3ccco3)ccn2)CC1
InChIInChI=1S/C18H25N5O2/c1-21-7-9-23(10-8-21)17-12-15(5-6-19-17)13-20-18(24)22(2)14-16-4-3-11-25-16/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,24)
InChIKeyAQYXWVCLZBERLX-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.77
Rot. Bonds5

About 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea

1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea (PubChem CID 51084308) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
PubChem CID51084308
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
SMILESCN1CCN(c2cc(CNC(=O)N(C)Cc3ccco3)ccn2)CC1
InChIInChI=1S/C18H25N5O2/c1-21-7-9-23(10-8-21)17-12-15(5-6-19-17)13-20-18(24)22(2)14-16-4-3-11-25-16/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,24)
InChIKeyAQYXWVCLZBERLX-UHFFFAOYSA-N
XLogP1.77
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea with MolForge

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Related Compounds

4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55589673
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 94178037
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 55793803
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
1-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 94030410
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 47065929

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea (CID 51084308) is 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea is CN1CCN(c2cc(CNC(=O)N(C)Cc3ccco3)ccn2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea?
The InChIKey is AQYXWVCLZBERLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-21-7-9-23(10-8-21)17-12-15(5-6-19-17)13-20-18(24)22(2)14-16-4-3-11-25-16/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,24).
What are the key properties of 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea?
1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea has a molecular weight of 343.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 51084308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).