5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide

C18H20N4O3 — CID 167870343

IUPAC5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide
SMILESCCCOc1ccc2[nH]cc(CCNC(=O)c3ncc(O)cn3)c2c1
InChIInChI=1S/C18H20N4O3/c1-2-7-25-14-3-4-16-15(8-14)12(9-20-16)5-6-19-18(24)17-21-10-13(23)11-22-17/h3-4,8-11,20,23H,2,5-7H2,1H3,(H,19,24)
InChIKeyCVNIBHKRGNUQRY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.42
Rot. Bonds7

About 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide

5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide (PubChem CID 167870343) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide
PubChem CID167870343
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide
SMILESCCCOc1ccc2[nH]cc(CCNC(=O)c3ncc(O)cn3)c2c1
InChIInChI=1S/C18H20N4O3/c1-2-7-25-14-3-4-16-15(8-14)12(9-20-16)5-6-19-18(24)17-21-10-13(23)11-22-17/h3-4,8-11,20,23H,2,5-7H2,1H3,(H,19,24)
InChIKeyCVNIBHKRGNUQRY-UHFFFAOYSA-N
XLogP2.42
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide
CID 146093991
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194
N-[2-[5-(2-pyrazin-2-yloxyethoxy)-1H-indol-3-yl]ethyl]acetamide
CID 122684754
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
1-[2-[5-[2-[(2-chloro-4-pyridinyl)oxy]ethoxy]-1H-indol-3-yl]ethyl]-3-methylurea
CID 122698024
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide
CID 134138941
tris(5-ethoxy-3-propyl-1H-indole);N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide;3-propyl-1H-indole;3-propyl-1H-indol-5-ol
CID 161141076
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
2-(5-propoxy-1H-indol-3-yl)acetaldehyde
CID 144631653
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide (CID 167870343) is 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide is CCCOc1ccc2[nH]cc(CCNC(=O)c3ncc(O)cn3)c2c1.
What is the InChIKey of 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide?
The InChIKey is CVNIBHKRGNUQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-2-7-25-14-3-4-16-15(8-14)12(9-20-16)5-6-19-18(24)17-21-10-13(23)11-22-17/h3-4,8-11,20,23H,2,5-7H2,1H3,(H,19,24).
What are the key properties of 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide?
5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 167870343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).