1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

C23H26N4O — CID 167827928

IUPAC1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)c2ccccc12
InChIInChI=1S/C23H26N4O/c1-17-10-11-18(21-9-3-2-8-20(17)21)15-25-23(28)26-16-19-7-6-12-24-22(19)27-13-4-5-14-27/h2-3,6-12H,4-5,13-16H2,1H3,(H2,25,26,28)
InChIKeyLNOWQWHYMSBMCD-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.14
Rot. Bonds5

About 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 167827928) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID167827928
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)c2ccccc12
InChIInChI=1S/C23H26N4O/c1-17-10-11-18(21-9-3-2-8-20(17)21)15-25-23(28)26-16-19-7-6-12-24-22(19)27-13-4-5-14-27/h2-3,6-12H,4-5,13-16H2,1H3,(H2,25,26,28)
InChIKeyLNOWQWHYMSBMCD-UHFFFAOYSA-N
XLogP4.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 167827928) is 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is Cc1ccc(CNC(=O)NCc2cccnc2N2CCCC2)c2ccccc12.
What is the InChIKey of 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is LNOWQWHYMSBMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-10-11-18(21-9-3-2-8-20(17)21)15-25-23(28)26-16-19-7-6-12-24-22(19)27-13-4-5-14-27/h2-3,6-12H,4-5,13-16H2,1H3,(H2,25,26,28).
What are the key properties of 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 374.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 167827928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).