3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea

C19H20FN3O — CID 95758302

IUPAC3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)N[C@H](c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c1-3-13-23(14-4-2)19(24)22-18(16-9-11-21-12-10-16)15-5-7-17(20)8-6-15/h3-12,18H,1-2,13-14H2,(H,22,24)/t18-/m0/s1
InChIKeyGBTDDMJHBNDASO-SFHVURJKSA-N
MW325.39 g/mol
LogP3.69
Rot. Bonds7

About 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea

3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea (PubChem CID 95758302) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea
PubChem CID95758302
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)N[C@H](c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c1-3-13-23(14-4-2)19(24)22-18(16-9-11-21-12-10-16)15-5-7-17(20)8-6-15/h3-12,18H,1-2,13-14H2,(H,22,24)/t18-/m0/s1
InChIKeyGBTDDMJHBNDASO-SFHVURJKSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-1,1-bis(prop-2-enyl)urea
CID 95327051
3-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424205
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 99958111
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 99947033
3-[1-(4-phenylphenyl)ethyl]-1,1-bis(prop-2-enyl)urea
CID 112831836
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896607

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea (CID 95758302) is 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)N[C@H](c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea?
The InChIKey is GBTDDMJHBNDASO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-3-13-23(14-4-2)19(24)22-18(16-9-11-21-12-10-16)15-5-7-17(20)8-6-15/h3-12,18H,1-2,13-14H2,(H,22,24)/t18-/m0/s1.
What are the key properties of 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea?
3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea has a molecular weight of 325.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 95758302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).