1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea

C19H23N3O2 — CID 126423150

IUPAC1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea
SMILESCOc1ccc([C@H](NC(=O)NC2(C)CCC2)c2ccncc2)cc1
InChIInChI=1S/C19H23N3O2/c1-19(10-3-11-19)22-18(23)21-17(15-8-12-20-13-9-15)14-4-6-16(24-2)7-5-14/h4-9,12-13,17H,3,10-11H2,1-2H3,(H2,21,22,23)/t17-/m0/s1
InChIKeyVRWLDIKVVYBBDU-KRWDZBQOSA-N
MW325.41 g/mol
LogP3.42
Rot. Bonds5

About 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea

1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea (PubChem CID 126423150) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea.

Molecular Properties

Compound Name1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea
PubChem CID126423150
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea
SMILESCOc1ccc([C@H](NC(=O)NC2(C)CCC2)c2ccncc2)cc1
InChIInChI=1S/C19H23N3O2/c1-19(10-3-11-19)22-18(23)21-17(15-8-12-20-13-9-15)14-4-6-16(24-2)7-5-14/h4-9,12-13,17H,3,10-11H2,1-2H3,(H2,21,22,23)/t17-/m0/s1
InChIKeyVRWLDIKVVYBBDU-KRWDZBQOSA-N
XLogP3.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 126429579
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
CID 121498449
1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide
CID 97140868
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72879148
1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide
CID 50965643
N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 99929721
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea
CID 125438610
1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958932

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea?
The IUPAC name of 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea (CID 126423150) is 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea.
What is the SMILES notation for 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea?
The canonical SMILES for 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea is COc1ccc([C@H](NC(=O)NC2(C)CCC2)c2ccncc2)cc1.
What is the InChIKey of 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea?
The InChIKey is VRWLDIKVVYBBDU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(10-3-11-19)22-18(23)21-17(15-8-12-20-13-9-15)14-4-6-16(24-2)7-5-14/h4-9,12-13,17H,3,10-11H2,1-2H3,(H2,21,22,23)/t17-/m0/s1.
What are the key properties of 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea?
1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea has a molecular weight of 325.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea is sourced from PubChem (CID 126423150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).