1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea

C19H27N5O2 — CID 110179243

IUPAC1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea
SMILESCCN(CC)CC(O)CNC(=O)Nc1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C19H27N5O2/c1-3-24(4-2)14-17(25)13-21-19(26)23-16-10-11-18(20-12-16)22-15-8-6-5-7-9-15/h5-12,17,25H,3-4,13-14H2,1-2H3,(H,20,22)(H2,21,23,26)
InChIKeyAEALSVQXVWRKDY-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.65
Rot. Bonds9

About 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea

1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea (PubChem CID 110179243) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea
PubChem CID110179243
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea
SMILESCCN(CC)CC(O)CNC(=O)Nc1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C19H27N5O2/c1-3-24(4-2)14-17(25)13-21-19(26)23-16-10-11-18(20-12-16)22-15-8-6-5-7-9-15/h5-12,17,25H,3-4,13-14H2,1-2H3,(H,20,22)(H2,21,23,26)
InChIKeyAEALSVQXVWRKDY-UHFFFAOYSA-N
XLogP2.65
TPSA89.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea?
The IUPAC name of 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea (CID 110179243) is 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea is CCN(CC)CC(O)CNC(=O)Nc1ccc(Nc2ccccc2)nc1.
What is the InChIKey of 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea?
The InChIKey is AEALSVQXVWRKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-24(4-2)14-17(25)13-21-19(26)23-16-10-11-18(20-12-16)22-15-8-6-5-7-9-15/h5-12,17,25H,3-4,13-14H2,1-2H3,(H,20,22)(H2,21,23,26).
What are the key properties of 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea?
1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea has a molecular weight of 357.46 g/mol, XLogP of 2.65, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-anilino-3-pyridinyl)-3-[3-(diethylamino)-2-hydroxypropyl]urea is sourced from PubChem (CID 110179243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).