1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C19H24N4O2 — CID 95187313

IUPAC1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESC[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H24N4O2/c1-14(15-6-5-7-17(24)12-15)22(2)19(25)21-16-8-9-18(20-13-16)23-10-3-4-11-23/h5-9,12-14,24H,3-4,10-11H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyXFPAQGCDSHCUDD-AWEZNQCLSA-N
MW340.43 g/mol
LogP3.61
Rot. Bonds4

About 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 95187313) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID95187313
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESC[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H24N4O2/c1-14(15-6-5-7-17(24)12-15)22(2)19(25)21-16-8-9-18(20-13-16)23-10-3-4-11-23/h5-9,12-14,24H,3-4,10-11H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyXFPAQGCDSHCUDD-AWEZNQCLSA-N
XLogP3.61
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 55740490
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221133
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041620
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713
2-acetamido-3-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 18143999
4-amino-2-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 80543440
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 55740425

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 95187313) is 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is XFPAQGCDSHCUDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(15-6-5-7-17(24)12-15)22(2)19(25)21-16-8-9-18(20-13-16)23-10-3-4-11-23/h5-9,12-14,24H,3-4,10-11H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 340.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 95187313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).