1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea

C18H23N3O3 — CID 95976630

IUPAC1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea
SMILESCc1cc(C)c(CNC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c(=O)[nH]1
InChIInChI=1S/C18H23N3O3/c1-10-6-12(3)21-17(22)15(10)9-20-18(23)19-8-13-4-5-16(24-13)14-7-11(14)2/h4-6,11,14H,7-9H2,1-3H3,(H,21,22)(H2,19,20,23)/t11-,14-/m1/s1
InChIKeySZOXHHLKBDZYKQ-BXUZGUMPSA-N
MW329.40 g/mol
LogP2.71
Rot. Bonds5

About 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea

1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea (PubChem CID 95976630) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea
PubChem CID95976630
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea
SMILESCc1cc(C)c(CNC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c(=O)[nH]1
InChIInChI=1S/C18H23N3O3/c1-10-6-12(3)21-17(22)15(10)9-20-18(23)19-8-13-4-5-16(24-13)14-7-11(14)2/h4-6,11,14H,7-9H2,1-3H3,(H,21,22)(H2,19,20,23)/t11-,14-/m1/s1
InChIKeySZOXHHLKBDZYKQ-BXUZGUMPSA-N
XLogP2.71
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 95789780
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95150723
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17466838
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]urea
CID 95141368
1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 75534517
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121990
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 39997055
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95975954
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
CID 95976051

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea?
The IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea (CID 95976630) is 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea?
The canonical SMILES for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea is Cc1cc(C)c(CNC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c(=O)[nH]1.
What is the InChIKey of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea?
The InChIKey is SZOXHHLKBDZYKQ-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-10-6-12(3)21-17(22)15(10)9-20-18(23)19-8-13-4-5-16(24-13)14-7-11(14)2/h4-6,11,14H,7-9H2,1-3H3,(H,21,22)(H2,19,20,23)/t11-,14-/m1/s1.
What are the key properties of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea?
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea is sourced from PubChem (CID 95976630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).