1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea

C20H24N4O3 — CID 86989203

IUPAC1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCOc1cc(CNC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)ccn1
InChIInChI=1S/C20H24N4O3/c1-14-6-5-7-16(18(14)19(25)24-10-3-4-11-24)23-20(26)22-13-15-8-9-21-17(12-15)27-2/h5-9,12H,3-4,10-11,13H2,1-2H3,(H2,22,23,26)
InChIKeyRYQAHELNSXVZNM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.96
Rot. Bonds5

About 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea

1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 86989203) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID86989203
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCOc1cc(CNC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)ccn1
InChIInChI=1S/C20H24N4O3/c1-14-6-5-7-16(18(14)19(25)24-10-3-4-11-24)23-20(26)22-13-15-8-9-21-17(12-15)27-2/h5-9,12H,3-4,10-11,13H2,1-2H3,(H2,22,23,26)
InChIKeyRYQAHELNSXVZNM-UHFFFAOYSA-N
XLogP2.96
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
1-(2-bromo-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 55696398
1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86986628
1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86987150
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 95168023
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
N-[(2-methoxy-4-pyridinyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18205211
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 47035979
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea (CID 86989203) is 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea is COc1cc(CNC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)ccn1.
What is the InChIKey of 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is RYQAHELNSXVZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-6-5-7-16(18(14)19(25)24-10-3-4-11-24)23-20(26)22-13-15-8-9-21-17(12-15)27-2/h5-9,12H,3-4,10-11,13H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea?
1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 368.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 86989203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).