1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea

C19H23N3O2 — CID 129398613

IUPAC1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)nc1
InChIInChI=1S/C19H23N3O2/c1-14-9-10-17(20-12-14)22-19(23)21-13-16-8-5-11-24-18(16)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,18H,5,8,11,13H2,1H3,(H2,20,21,22,23)/t16-,18+/m0/s1
InChIKeyYHWMHWZNYGMAEJ-FUHWJXTLSA-N
MW325.41 g/mol
LogP3.68
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea

1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea (PubChem CID 129398613) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
PubChem CID129398613
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)nc1
InChIInChI=1S/C19H23N3O2/c1-14-9-10-17(20-12-14)22-19(23)21-13-16-8-5-11-24-18(16)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,18H,5,8,11,13H2,1H3,(H2,20,21,22,23)/t16-,18+/m0/s1
InChIKeyYHWMHWZNYGMAEJ-FUHWJXTLSA-N
XLogP3.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea with MolForge

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Related Compounds

1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999330
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[(2-phenyloxan-3-yl)methyl]urea
CID 86844010
1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 124832309
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
3-[[N-ethyl-N'-[[2-(4-methylphenyl)oxan-3-yl]methyl]carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111620789
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129000874
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
CID 71864345
[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133332166
N-[[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 99812603
1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea
CID 136585949

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea (CID 129398613) is 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea is Cc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea?
The InChIKey is YHWMHWZNYGMAEJ-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-9-10-17(20-12-14)22-19(23)21-13-16-8-5-11-24-18(16)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,18H,5,8,11,13H2,1H3,(H2,20,21,22,23)/t16-,18+/m0/s1.
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea?
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea has a molecular weight of 325.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea is sourced from PubChem (CID 129398613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).