1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea

C17H17N3O3 — CID 142698899

IUPAC1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea
SMILESCC1(CO)C=Cc2cc(NC(=O)Nc3cccnc3)ccc2O1
InChIInChI=1S/C17H17N3O3/c1-17(11-21)7-6-12-9-13(4-5-15(12)23-17)19-16(22)20-14-3-2-8-18-10-14/h2-10,21H,11H2,1H3,(H2,19,20,22)
InChIKeyXGFIIRXEIRINHI-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.88
Rot. Bonds3

About 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea

1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea (PubChem CID 142698899) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea
PubChem CID142698899
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea
SMILESCC1(CO)C=Cc2cc(NC(=O)Nc3cccnc3)ccc2O1
InChIInChI=1S/C17H17N3O3/c1-17(11-21)7-6-12-9-13(4-5-15(12)23-17)19-16(22)20-14-3-2-8-18-10-14/h2-10,21H,11H2,1H3,(H2,19,20,22)
InChIKeyXGFIIRXEIRINHI-UHFFFAOYSA-N
XLogP2.88
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea
CID 142698908
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
CID 46182294
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-pyridin-3-ylurea
CID 108873340

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea (CID 142698899) is 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea is CC1(CO)C=Cc2cc(NC(=O)Nc3cccnc3)ccc2O1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea?
The InChIKey is XGFIIRXEIRINHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-17(11-21)7-6-12-9-13(4-5-15(12)23-17)19-16(22)20-14-3-2-8-18-10-14/h2-10,21H,11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea?
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea has a molecular weight of 311.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 142698899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).