1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea

C31H28N4O2 — CID 10184804

IUPAC1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C31H28N4O2/c36-31(33-29-11-5-7-22-6-1-2-8-26(22)29)34-30-15-14-25(27-9-3-4-10-28(27)30)23-12-13-24(32-20-23)21-35-16-18-37-19-17-35/h1-15,20H,16-19,21H2,(H2,33,34,36)
InChIKeyMEGAZNOEWHRNPW-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.53
Rot. Bonds5

About 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea

1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea (PubChem CID 10184804) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea
PubChem CID10184804
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC Name1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C31H28N4O2/c36-31(33-29-11-5-7-22-6-1-2-8-26(22)29)34-30-15-14-25(27-9-3-4-10-28(27)30)23-12-13-24(32-20-23)21-35-16-18-37-19-17-35/h1-15,20H,16-19,21H2,(H2,33,34,36)
InChIKeyMEGAZNOEWHRNPW-UHFFFAOYSA-N
XLogP6.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea (CID 10184804) is 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea is O=C(Nc1cccc2ccccc12)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.
What is the InChIKey of 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea?
The InChIKey is MEGAZNOEWHRNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2/c36-31(33-29-11-5-7-22-6-1-2-8-26(22)29)34-30-15-14-25(27-9-3-4-10-28(27)30)23-12-13-24(32-20-23)21-35-16-18-37-19-17-35/h1-15,20H,16-19,21H2,(H2,33,34,36).
What are the key properties of 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea?
1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea has a molecular weight of 488.59 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 10184804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).