1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

C14H21F3N4O2 — CID 95977197

IUPAC1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCCN(CC)C[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C14H21F3N4O2/c1-4-21(5-2)8-9(3)19-13(23)20-11-6-10(14(15,16)17)7-18-12(11)22/h6-7,9H,4-5,8H2,1-3H3,(H,18,22)(H2,19,20,23)/t9-/m1/s1
InChIKeyKQFNEHHTHWQNQT-SECBINFHSA-N
MW334.34 g/mol
LogP2.25
Rot. Bonds6

About 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 95977197) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID95977197
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESCCN(CC)C[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C14H21F3N4O2/c1-4-21(5-2)8-9(3)19-13(23)20-11-6-10(14(15,16)17)7-18-12(11)22/h6-7,9H,4-5,8H2,1-3H3,(H,18,22)(H2,19,20,23)/t9-/m1/s1
InChIKeyKQFNEHHTHWQNQT-SECBINFHSA-N
XLogP2.25
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 95977197) is 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is CCN(CC)C[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is KQFNEHHTHWQNQT-SECBINFHSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-4-21(5-2)8-9(3)19-13(23)20-11-6-10(14(15,16)17)7-18-12(11)22/h6-7,9H,4-5,8H2,1-3H3,(H,18,22)(H2,19,20,23)/t9-/m1/s1.
What are the key properties of 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 334.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(diethylamino)propan-2-yl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 95977197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).