1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea

C19H25N4O2+ — CID 5211916

IUPAC1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea
SMILESCc1ccc(NC(=O)NCC(c2cccnc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-15-4-6-17(7-5-15)22-19(24)21-14-18(16-3-2-8-20-13-16)23-9-11-25-12-10-23/h2-8,13,18H,9-12,14H2,1H3,(H2,21,22,24)/p+1
InChIKeyFMNIJGVCDVHQPV-UHFFFAOYSA-O
MW341.44 g/mol
LogP1.17
Rot. Bonds5

About 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea

1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea (PubChem CID 5211916) has the molecular formula C19H25N4O2+ and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea
PubChem CID5211916
Molecular FormulaC19H25N4O2+
Molecular Weight341.44 g/mol
Exact Mass341.20
IUPAC Name1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea
SMILESCc1ccc(NC(=O)NCC(c2cccnc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-15-4-6-17(7-5-15)22-19(24)21-14-18(16-3-2-8-20-13-16)23-9-11-25-12-10-23/h2-8,13,18H,9-12,14H2,1H3,(H2,21,22,24)/p+1
InChIKeyFMNIJGVCDVHQPV-UHFFFAOYSA-O
XLogP1.17
TPSA67.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
CID 5211914
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-phenylurea
CID 7384638
1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
CID 92892988
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-methylphenyl)urea
CID 7496614
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
1-(4-chlorophenyl)-3-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]urea
CID 7384644
(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide
CID 6991525
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
CID 118770523
1-(3-methylphenyl)-3-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]urea
CID 7384652
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
CID 20856780

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea (CID 5211916) is 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea is Cc1ccc(NC(=O)NCC(c2cccnc2)[NH+]2CCOCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea?
The InChIKey is FMNIJGVCDVHQPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4O2/c1-15-4-6-17(7-5-15)22-19(24)21-14-18(16-3-2-8-20-13-16)23-9-11-25-12-10-23/h2-8,13,18H,9-12,14H2,1H3,(H2,21,22,24)/p+1.
What are the key properties of 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea?
1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea has a molecular weight of 341.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 5211916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).