1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

C31H35N5O2 — CID 10217912

IUPAC1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESCc1ncc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C31H35N5O2/c1-21-29(17-23(19-32-21)31(2,3)4)35-30(37)34-28-12-11-25(26-7-5-6-8-27(26)28)22-9-10-24(33-18-22)20-36-13-15-38-16-14-36/h5-12,17-19H,13-16,20H2,1-4H3,(H2,34,35,37)
InChIKeyWUGLAQLTUHTAJZ-UHFFFAOYSA-N
MW509.65 g/mol
LogP6.38
Rot. Bonds5

About 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 10217912) has the molecular formula C31H35N5O2 and a molecular weight of 509.65 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
PubChem CID10217912
Molecular FormulaC31H35N5O2
Molecular Weight509.65 g/mol
Exact Mass509.28
IUPAC Name1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESCc1ncc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C31H35N5O2/c1-21-29(17-23(19-32-21)31(2,3)4)35-30(37)34-28-12-11-25(26-7-5-6-8-27(26)28)22-9-10-24(33-18-22)20-36-13-15-38-16-14-36/h5-12,17-19H,13-16,20H2,1-4H3,(H2,34,35,37)
InChIKeyWUGLAQLTUHTAJZ-UHFFFAOYSA-N
XLogP6.38
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The IUPAC name of 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (CID 10217912) is 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.
What is the SMILES notation for 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The canonical SMILES for 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is Cc1ncc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.
What is the InChIKey of 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The InChIKey is WUGLAQLTUHTAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2/c1-21-29(17-23(19-32-21)31(2,3)4)35-30(37)34-28-12-11-25(26-7-5-6-8-27(26)28)22-9-10-24(33-18-22)20-36-13-15-38-16-14-36/h5-12,17-19H,13-16,20H2,1-4H3,(H2,34,35,37).
What are the key properties of 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea has a molecular weight of 509.65 g/mol, XLogP of 6.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is sourced from PubChem (CID 10217912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).