1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

C30H31N5O2 — CID 10206835

IUPAC1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESNc1ccccc1C1CC1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C30H31N5O2/c31-27-8-4-3-6-24(27)26-17-29(26)34-30(36)33-28-12-11-22(23-5-1-2-7-25(23)28)20-9-10-21(32-18-20)19-35-13-15-37-16-14-35/h1-12,18,26,29H,13-17,19,31H2,(H2,33,34,36)
InChIKeyHGHCFQFNAFNHDN-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.99
Rot. Bonds6

About 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea

1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 10206835) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
PubChem CID10206835
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
SMILESNc1ccccc1C1CC1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C30H31N5O2/c31-27-8-4-3-6-24(27)26-17-29(26)34-30(36)33-28-12-11-22(23-5-1-2-7-25(23)28)20-9-10-21(32-18-20)19-35-13-15-37-16-14-35/h1-12,18,26,29H,13-17,19,31H2,(H2,33,34,36)
InChIKeyHGHCFQFNAFNHDN-UHFFFAOYSA-N
XLogP4.99
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The IUPAC name of 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (CID 10206835) is 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.
What is the SMILES notation for 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The canonical SMILES for 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is Nc1ccccc1C1CC1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.
What is the InChIKey of 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
The InChIKey is HGHCFQFNAFNHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c31-27-8-4-3-6-24(27)26-17-29(26)34-30(36)33-28-12-11-22(23-5-1-2-7-25(23)28)20-9-10-21(32-18-20)19-35-13-15-37-16-14-35/h1-12,18,26,29H,13-17,19,31H2,(H2,33,34,36).
What are the key properties of 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea?
1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea has a molecular weight of 493.61 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminophenyl)cyclopropyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea is sourced from PubChem (CID 10206835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).